Hydrochloric Acid

Hydrochloric Acid

SCHEMBL918378

CCN(CC)Cc1cc(C=O)c(O)c(C(C)(C)C)c1.Cl

nearest known ligand 0.50

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
GAA known ✓ P10253 3/20 0.47
CACNA1B known ✓ Q00975 1/20 0.41
ACHE known ✓ P22303 1/20 0.36
ALDH1A1 P00352 6/20 0.50
MAPT P10636 5/20 0.50
MAPK1 P28482 4/20 0.50
KDM4E B2RXH2 3/20 0.50
HTT P42858 3/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 4/20 0.47
TSHR P16473 3/20 0.47
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
BLM P54132 2/20 0.44
ATM Q13315 2/20 0.44
HIF1A Q16665 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44

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
SCHEMBL12904884 0.99 ALDH1A1 (0.51) ALDH1A1MAPTMAPK1KDM4EHTT
Hydrochloric Acid SCHEMBL8843636 0.85 ALDH1A1 (0.67) ALDH1A1MAPTMAPK1KDM4EHTT
SCHEMBL4821251 0.83 ALDH1A1 (0.69) ALDH1A1MAPTMAPK1KDM4EHTT
SCHEMBL919097 0.81 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1KDM4EHTT
SCHEMBL12904890 0.81 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1KDM4EHTT
SCHEMBL919098 0.81 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1KDM4EHTT
SCHEMBL31489807 0.80 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1KDM4EHTT
SCHEMBL11279542 0.80 ALDH1A1 (0.57) ALDH1A1MAPTMAPK1KDM4EHTT
SCHEMBL2461602 0.80 ALDH1A1 (0.53) ALDH1A1MAPTMAPK1KDM4EHTT
SCHEMBL4143769 0.79 ALDH1A1 (0.51) ALDH1A1MAPTMAPK1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273024-B2 Synthesis of cyclic carbonates UNIVERSITY OF YORK (GB) 2016-03-01 US disclosed
US-9242955-B2 Synthesis of cyclic carbonates UNIVERSITY OF YORK (GB) 2016-01-26 US disclosed
EP-2257559-B1 SYNTHESIS OF CYCLIC CARBONATES UNIV YORK (GB) 2014-10-15 EP disclosed
US-20130317237-A1 SYNTEHSIS OF CYCLIC CARBONATES UNIVERSITY OF NEW CASTLE UPON TYNE (GB) 2013-11-28 US disclosed
EP-2146977-B1 SYNTHESIS OF CYCLIC CARBONATES IN THE PRESENCE OF DIMERIC ALUMINIUM (SALEN) CATALYSTS UNIV NEWCASTLE (GB) 2012-11-14 EP disclosed
US-20110015409-A1 SYNTHESIS OF CYCLIC CARBONATES UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2011-01-20 US disclosed
EP-2257559-A1 SYNTHESIS OF CYCLIC CARBONATES University Of Newcastle-Upon Tyne (GB) 2010-12-08 EP disclosed
US-20100130752-A1 SYNTHESIS OF CYCLIC CARBONATES UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2010-05-27 US disclosed
WO-2009109765-A1 SYNTHESIS OF CYCLIC CARBONATES UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2009-09-11 WO 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 (3 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-20100130752-A1 SYNTHESIS OF CYCLIC CARBONATES CA2, SCO2, CA7 GAA 1736/4885CACNA1B 324/4885ACHE 2993/4885
US-20130317237-A1 SYNTEHSIS OF CYCLIC CARBONATES CA12, SUCLA2, LMNA GAA 914/4885CACNA1B 250/4885ACHE 3204/4885
US-20110015409-A1 SYNTHESIS OF CYCLIC CARBONATES NR3C2, NR2C2, NR3C1 GAA 4814/4885CACNA1B 186/4885ACHE 4409/4885

“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.