Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6553410

CC1=C([Zr+2](C2=C(C)Cc3ccc4ccccc4c32)=[Si](C)C)c2c(ccc3ccccc23)C1.[Cl-].[Cl-]

nearest known ligand 0.33

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
ACHE known ✓ P22303 1/20 0.30
SLC6A2 known ✓ P23975 1/20 0.30
MAPT P10636 2/20 0.33
CYP2A6 P11509 4/20 0.33
TSHR P16473 3/20 0.33
CYP1A2 P05177 2/20 0.33
ALDH1A1 P00352 3/20 0.31
HSD17B10 Q99714 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
RAB9A P51151 1/20 0.30
CASP7 P55210 1/20 0.30
ATM Q13315 1/20 0.30
HIF1A Q16665 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ANPEP P15144 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 SCHEMBL6896608 0.82 NISCH (0.34) MAPTNISCH
Hydrochloric Acid SCHEMBL253940 0.77 ALDH1A1 (0.35) MAPTCYP2A6TSHRCYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL5702777 0.76 MAPT (0.31) MAPTCYP2A6TSHRCYP1A2ANPEP
Hydrochloric Acid SCHEMBL28815114 0.73 MAPT (0.38) MAPTCYP2A6TSHRCYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL5702836 0.73 KMT2A (0.33) ANPEP
Hydrochloric Acid SCHEMBL8077847 0.72 MAPT (0.37) MAPTCYP2A6TSHRCYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL6553920 0.72 MAPT (0.34) MAPTCYP2A6TSHRCYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL5702863 0.71 ANPEP (0.33) ANPEP
SCHEMBL3965887 0.71 MAPT (0.39) MAPTCYP2A6TSHRCYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL4593401 0.71 MAPT (0.33) MAPTCYP2A6TSHRCYP1A2ALDH1A1

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 12 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
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
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-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-6812185-B2 IMPREGNATION OF A SUPPORT MATERIAL WITH AN IMPREGNATION SOLUTION COMPRISING THE METAL COMPONENT, WHEREIN THE IMPREGNATION SOLUTION FLOWS IN A DIRECTED STREAM THROUGH THE SUPPORT MATERIAL BASELL POLYOLEFINE GMBH (DE) 2004-11-02 US disclosed
US-20040044148-A1 Method for preactivating catalysts BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2004-03-04 US disclosed
EP-0773237-B1 Olefin polymerization catalyst system MITSUI CHEMICALS INC (JP) 2004-02-18 EP disclosed
US-20030236164-A1 Preparation of a metal-containing supported catalyst or a supported catalyst component by impregnation of a support material EQUISTAR CHEMICALS, LP 2003-12-25 US disclosed
US-6589905-B1 By impregnating a supporting material with an impregnating solution containing the metal constituent, whereby the impregnating solution flows through the supporting material BASELL POLYOLEFINE GMBH (DE) 2003-07-08 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 (4 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 ACHE 1223/4885SLC6A2 4851/4885MAPT 3595/4885
US-20150105572-A1 TRANSITION METAL COMPLEX AP1M1, AP3M1, EMC1 ACHE 1522/4885SLC6A2 4808/4885MAPT 2999/4885
US-20150105237-A1 CATALYTIC COMPONENT FOR TRIMERIZATION AND TRIMERIZATION CATALYST AP1M1, AMY1A, AP3M1 ACHE 275/4885SLC6A2 4885/4885MAPT 4270/4885
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 ACHE 962/4885SLC6A2 4843/4885MAPT 2550/4885

“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.