Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3679145

CCCCC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Zr](C)(C)(=[SiH2])C1C(CCCC)=Cc2c(-c3cccc4ccccc34)cccc21.Cl.Cl

nearest known ligand 0.34

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 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 2/20 0.33
DRD2 known ✓ P14416 1/20 0.33
HTR7 known ✓ P34969 1/20 0.31
CNR1 P21554 2/20 0.34
TLR8 Q9NR97 1/20 0.34
CNR2 P34972 1/20 0.33
ALOX15 P16050 2/20 0.31
NCEH1 Q6PIU2 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 SCHEMBL272443 0.93 SLC6A4 (0.34) CNR1TLR8CNR2SLC6A4DRD2
SCHEMBL5582114 0.92 SLC6A4 (0.34) CNR1CNR2SLC6A4DRD2ALOX15
Hydrochloric Acid SCHEMBL273189 0.88 SLC6A4 (0.33) SLC6A4DRD2HTR7
Hydrochloric Acid SCHEMBL691218 0.88 CNR1 (0.36) CNR1TLR8CNR2ALOX15HTR7
SCHEMBL7188586 0.87 SLC6A4 (0.33) SLC6A4DRD2HTR7
SCHEMBL694592 0.86 CNR1 (0.37) CNR1TLR8CNR2ALOX15HTR7
Hydrochloric Acid SCHEMBL2513705 0.85 BCHE (0.31)
Hydrochloric Acid SCHEMBL691019 0.84 CNR1 (0.40) CNR1TLR8CNR2ALOX15
Hydrochloric Acid SCHEMBL1022922 0.84
Hydrochloric Acid SCHEMBL688920 0.84 CNR1 (0.41) CNR1TLR8CNR2ALOX15

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680001-B2 Preparation of supported catalyst systems containing reduced amounts of aluminoxanes BASELL POLYOLEFINE GMBH (DE) 2014-03-25 US disclosed
US-7776980-B2 Monocyclopentadienyl complexes BASELL POLYOLEFINE GMBH (DE) 2010-08-17 US disclosed
US-7683146-B2 Supported metal alkyl compound and process for the polymerization of olefins in its presence BASELL POLYOLEFINE GMBH (DE) 2010-03-23 US disclosed
US-7579416-B2 Catalyst system for olefin polymerization BASELL POLYOLEFINE GMBH (DE) 2009-08-25 US disclosed
US-7544826-B2 Monocyclopentadienyl complexes BASELL POLYOLEFINE GMBH (DE) 2009-06-09 US disclosed
US-7541473-B2 Monocyclopentadienyl complexes BASELL POLYOLEFINE GMBH (DE) 2009-06-02 US disclosed
US-7541481-B2 Monocyclopentadienyl complex BASELL POLYOLEFIN GMBH (DE) 2009-06-02 US disclosed
US-20090124770-A1 Supported Metal Alkyl Compound and Process for the Polymerization of Olefins in Its Presence BASELL POLYOLEFINE GMBH (DE) 2009-05-14 US disclosed
US-7507688-B2 Monocyclopentadienyl complexes BASELL POLYOLEFINE GMBH (DE) 2009-03-24 US disclosed
US-20090030166-A1 Preparation of supported catalyst systems containing reduced amounts of aluminoxanes BASELL POLYOLEFINE GMBH (DE) 2009-01-29 US disclosed
US-20090018292-A1 Monocyclopentadienyl Complexes BASELL POLYOLEFINE GMBH (DE) 2009-01-15 US disclosed
US-20070213484-A1 Monocyclopentadienyl Complexes BASELL POLYOLEFINE GMBH (DE) 2007-09-13 US disclosed
US-20070155918-A1 Monocyclopentadienyl complex BASELL POLYOLEFINE GMBH (DE) 2007-07-05 US disclosed
US-20060116491-A1 Monocyclopentadienyl complexes BASELL POLYOLEFINE GMBH (DE) 2006-06-01 US disclosed
US-20040242880-A1 Monocyclopentadienyl complexes comprising a condensed heterocycle BASELL POLYOLEFINE GMBH (DE) 2004-12-02 US disclosed
US-20040033890-A1 Catalyst system for carrying out olefin polymerization comprising a calcined hydro-talcite serving as a supporting material LYONDELL CHEMICAL TECHNOLOGY, L.P. 2004-02-19 US disclosed
US-5912373-A Process for converting the achiral meso form of an ansa-metallocene complex into the chiral racemic form BASF AKTIENGESELLSCHAFT (DE) 1999-06-15 US disclosed
US-5892081-A REACTING TIN METALLOCENE WITH TRANSITION METAL HALIDE OR ALKOXIDE BASF AKTIENGESELLSCHAFT (DE) 1999-04-06 US disclosed
US-5840950-A Process for converting the achiral meso form or the racemate of an ansa-metallocene complex or mixtures thereof into one of its enantiomers BASF AKTIENGESELLSCHAFT (DE) 1998-11-24 US 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 (5 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-20090124770-A1 Supported Metal Alkyl Compound and Process for the Polymerization of Olefins in Its Presence OSTC, PICALM, MAX SLC6A4 3940/4885DRD2 263/4885HTR7 3864/4885
US-20070155918-A1 Monocyclopentadienyl complex COASY, PCBP1, ORC3 SLC6A4 4466/4885DRD2 1448/4885HTR7 3756/4885
US-20040242880-A1 Monocyclopentadienyl complexes comprising a condensed heterocycle MCM4, MCM3, CCNC SLC6A4 3542/4885DRD2 815/4885HTR7 2510/4885
US-20070213484-A1 Monocyclopentadienyl Complexes PCBP1, COASY, PORCN SLC6A4 4605/4885DRD2 932/4885HTR7 3566/4885
US-20090018292-A1 Monocyclopentadienyl Complexes TKT, KMO, PKM SLC6A4 4496/4885DRD2 3515/4885HTR7 3993/4885

“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.