Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2052240

COc1cc(O[Ti](F)[SiH](C)C)cc(C(C)(C)C)c1.Cl.Cl

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.34
ESR1 known ✓ P03372 2/20 0.30
ABL1 known ✓ P00519 1/20 0.30
TTR known ✓ P02766 1/20 0.30
BCR known ✓ P11274 1/20 0.30
CYP19A1 known ✓ P11511 1/20 0.30
PTGS2 known ✓ P35354 1/20 0.30
ALDH1A1 P00352 1/20 0.37
CYP1A1 P04798 2/20 0.34
CYP1B1 Q16678 2/20 0.34
CA1 P00915 1/20 0.34
NQO2 P16083 2/20 0.31
CYP1A2 P05177 1/20 0.30
ABCB1 P08183 1/20 0.30
ALOX5 P09917 1/20 0.30
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
AHR P35869 1/20 0.30
TUBA1B P68363 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL2052149 0.90 GABRA1 (0.35)
Hydrochloric Acid SCHEMBL2054369 0.83 RXRA (0.33)
Hydrochloric Acid SCHEMBL2053404 0.82
SCHEMBL4557525 0.81 RXRA (0.34)
SCHEMBL4544211 0.80
Hydrochloric Acid SCHEMBL722069 0.79 ALDH1A1 (0.39) ALDH1A1CYP1A1CYP1B1CA1CA2
Hydrochloric Acid SCHEMBL2053794 0.79 CYP3A4 (0.39)
SCHEMBL278798 0.78 ALDH1A1 (0.61) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL27536498 0.77 ALDH1A1 (0.41) ALDH1A1CYP1A1CYP1B1CA1CA2
Hydrochloric Acid SCHEMBL719894 0.77 CA1 (0.38) ALDH1A1CYP1A1CYP1B1CA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026324-B2 Transition metal complex, process for producing the same, and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-27 US disclosed
US-20110152463-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-23 US disclosed
US-7728085-B2 Process for producing ethylene- α -olefin-polyene random copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-01 US disclosed
US-20100093957-A1 METHOD FOR PRODUCING BUTENE-ETHYLENE COPOLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-15 US disclosed
US-20100063228-A1 TRANSITION METAL COMPLEX, PROCESS FOR PRODUCING THE SAME, AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-11 US disclosed
EP-2138503-A1 TRANSITION METAL COMPLEX, PROCESS FOR PRODUCING THE SAME, AND USE Sumitomo Chemical Company, Limited (JP) 2009-12-30 EP disclosed
EP-2123685-A1 METHOD FOR PRODUCING BUTENE-ETHYLENE COPOLYMER Sumitomo Chemical Company, Limited (JP) 2009-11-25 EP disclosed
EP-1498178-B1 Transition metal complex and process for producing the same SUMITOMO CHEMICAL CO (JP) 2008-06-11 EP disclosed
US-20070167586-A1 Process for producing ethylene- alpha -olefin-polyene random copolymer SUMITOMO CHEMICAL COMPANY, LIMITED 2007-07-19 US disclosed
EP-0987287-B1 THERMOPLASTIC ELASTOMER COMPOSITION POWDER, POWDER MOLDING PROCESS USING THE SAME, AND MOLDINGS SUMITOMO CHEMICAL CO (JP) 2005-09-14 EP disclosed
US-6288193-B1 Ethylene-based polymer SUMITOMO CHEMICAL CO., LTD. (JP) 2001-09-11 US disclosed
US-6184319-B1 HOMOPOLYMERIZING OLEFIN OR COPOLYMERIZING OLEFINS UNDER PRESSURE WITH CATALYST SYSTME COMPRISING TRANSITION METAL COMPLEX, ORGANOALUMINUM COMPOUND OR ALUMINOXANE AND BORON COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-06 US disclosed
EP-1043358-A1 THERMOPLASTIC OLEFIN ELASTOMER COMPOSITION FOR POWDER MOLDING, POWDER FOR POWDER MOLDING, AND MOLDED OBJECT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-10-11 EP disclosed
EP-1038918-A1 THERMOPLASTIC OLEFIN ELASTOMER COMPOSITION Sumitomo Chemical Company, Limited (JP) 2000-09-27 EP disclosed
US-6121401-A OBTAINABLE BY POLYMERIZING PROPYLENE, AN ALPHA-OLEFIN HAVING 4-20 CARBON ATOMS, AND ETHYLENE IN THE PRESENCE OF A CATALYST FOR OLEFIN POLYMERIZATON INCLUDING AT LEAST ONE TRANSITION METAL COMPLEX, ONE ALUMINUM COMPOUND, ONE BORON COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-09-19 US disclosed
US-6084046-A ETHYLENE-ALPHA OLEFIN-BRANCHED CONJUGATED POLYVALENT OLEFIN TERPOLYMER HAVING NARROW MOLECULAR WEIGHT DISTRIBUTION; CROSSLINKED POLYMER HAVING HEAT RESISTANCE; MADE USING A COMPLEX OF A GROUP 4 TRANSITION METAL AS CATAYST SUMITOMO CHEMICAL COMPANY, LIMTED (JP) 2000-07-04 US disclosed
US-6084048-A SPECIFIED 1-BUTENE-PROPYLENE COPOLYMER WITH NO CRYSTALLINE MELTING PEAK AND NO CRYSTALLIZATION PEAK ACCORDING TO A DIFFERENTIAL SCANNING CALORIMETER MEASUREMENT; BLENDS WITH POLYOLEFINS HAVING FLEXIBILITY, ELONGATION, WEAR RESISTANCE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2000-07-04 US disclosed
EP-0987287-A1 THERMOPLASTIC ELASTOMER COMPOSITION POWDER, POWDER MOLDING PROCESS WITH THE SAME, AND MOLDINGS Sumitomo Chemical Company, Limited (JP) 2000-03-22 EP disclosed
EP-0842939-A1 TRANSITION METAL COMPLEX, PROCESS FOR THE PREPARATION THEREOF, POLYMERIZATION CATALYST FOR OLEFINS CONTAINING THE COMPLEX, AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-05-20 EP disclosed
EP-0842955-A2 Propylene-1-butene copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-05-20 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100063228-A1 TRANSITION METAL COMPLEX, PROCESS FOR PRODUCING THE SAME, AND USE CPN1, CYC1, AP1M1 CA2 443/4885ESR1 2974/4885ABL1 4025/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.