Hydrochloric Acid

Hydrochloric Acid

SCHEMBL10319472

CCCCc1ccc([Si](c2ccc(CCCC)cc2)(c2ccc(CCCC)cc2)C2C([Ti+3])=Cc3ccccc32)cc1.[Cl-].[Cl-].[Cl-]

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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
HSD11B1 P28845 2/20 0.36
NISCH Q9Y2I1 1/20 0.33
HTR1D P28221 1/20 0.33
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 2/20 0.32
CASP3 P42574 2/20 0.32
RAB9A P51151 2/20 0.32
SENP8 Q96LD8 2/20 0.32
SENP7 Q9BQF6 2/20 0.32
SENP6 Q9GZR1 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CNR2 P34972 1/20 0.32

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 SCHEMBL10319564 0.80 CYP11B1 (0.33) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL10317445 0.77 CYP11B1 (0.33) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL10318247 0.76 HSD11B1 (0.39) HSD11B1NISCHHTR1DCA2CA1
Hydrochloric Acid SCHEMBL11897186 0.75 BCHE (0.35) HSD11B1NISCHHTR1DCA2CA1
Hydrochloric Acid SCHEMBL10318050 0.71 CYP11B1 (0.31) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL10319432 0.71 CYP11B1 (0.35) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL10317187 0.70 CYP11B1 (0.30) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL10319899 0.70 CYP11B1 (0.30) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8034612 0.70 CYP11B1 (0.34) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL10318424 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9919300-B2 1-hexene production process SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-20 US disclosed
EP-2484685-B1 TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-11-01 EP disclosed
US-20170036200-A1 1-HEXENE PRODUCTION PROCESS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-09 US disclosed
EP-2686319-B1 IMIDAZO PYRAZINES HOFFMANN LA ROCHE (CH) 2016-07-13 EP disclosed
US-20150105572-A1 TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-04-16 US disclosed
US-20150105237-A1 CATALYTIC COMPONENT FOR TRIMERIZATION AND TRIMERIZATION CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-04-16 US disclosed
US-8673905-B2 Imidazo pyrazines HOFFMANN-LA ROCHE INC. (US) 2014-03-18 US disclosed
US-8470947-B2 Ethylenic polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-25 US disclosed
US-8362023-B2 Pyrazolo pyrimidines HOFFMANN-LA ROCHE INC. (US) 2013-01-29 US disclosed
US-20130005931-A1 ETHYLENIC POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-03 US disclosed
US-20120238564-A1 IMIDAZO PYRAZINES LUK KIN-CHUN (US) 2012-09-20 US disclosed
EP-2484685-A1 TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND Sumitomo Chemical Co., Ltd (JP) 2012-08-08 EP disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US disclosed
US-20120184508-A1 PYRAZOLO PYRIMIDINES BIODURO (BEIJING) COMPANY LTD. (CN) 2012-07-19 US disclosed
US-20120184431-A1 TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-19 US disclosed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 US disclosed
US-20120184562-A1 1,6- AND 1,8-NAPHTHYRIDINES LUK KIN-CHUN (US) 2012-07-19 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 (9 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-20170036200-A1 1-HEXENE PRODUCTION PROCESS AP1M1, HK1, CYC1 HSD11B1 415/4885NISCH 2091/4885HTR1D 116/4885
US-20120184508-A1 PYRAZOLO PYRIMIDINES TYMS, TYMP, TP53 HSD11B1 2221/4885NISCH 659/4885HTR1D 1989/4885
US-20150105572-A1 TRANSITION METAL COMPLEX AP1M1, AP3M1, EMC1 HSD11B1 751/4885NISCH 3376/4885HTR1D 825/4885
US-20150105237-A1 CATALYTIC COMPONENT FOR TRIMERIZATION AND TRIMERIZATION CATALYST AP1M1, AMY1A, AP3M1 HSD11B1 477/4885NISCH 2856/4885HTR1D 815/4885
US-20120184431-A1 TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND EMC1, CYC1, AP1M1 HSD11B1 377/4885NISCH 2843/4885HTR1D 837/4885
US-20120238564-A1 IMIDAZO PYRAZINES THPO, MCL1, IKZF3 HSD11B1 3220/4885NISCH 252/4885HTR1D 4700/4885
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES GOT1, PPARG, PPARA HSD11B1 1627/4885NISCH 474/4885HTR1D 4567/4885
US-20120184542-A1 PYRIDO PYRIMIDINES TYMS, TYMP, DPYD HSD11B1 2832/4885NISCH 913/4885HTR1D 1343/4885
US-20120184562-A1 1,6- AND 1,8-NAPHTHYRIDINES PSEN1, BRCA1, PSEN2 HSD11B1 623/4885NISCH 272/4885HTR1D 153/4885

“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.