Hydrochloric Acid

Hydrochloric Acid

SCHEMBL819361

CC1=C(c2cccc3ccccc23)c2ccccc2C1[Ti+2](=C(C)C)C1C(C)=C(c2cccc3ccccc23)c2ccccc21.[Cl-].[Cl-]

nearest known ligand 0.35

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
CHRNA1 known ✓ P02708 1/20 0.32
CHRNG known ✓ P07510 1/20 0.32
CHRNB1 known ✓ P11230 1/20 0.32
SLC6A2 known ✓ P23975 1/20 0.32
SLC6A3 known ✓ Q01959 1/20 0.32
CHRND known ✓ Q07001 1/20 0.32
DHFR P00374 1/20 0.35
EPHX1 P07099 1/20 0.35
ALOX5 P09917 1/20 0.35
KDM1A O60341 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CYP2A6 P11509 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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 SCHEMBL966582 0.82 KDM1A (0.33) DHFREPHX1KDM1AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL396679 0.82 KDM1A (0.33) DHFREPHX1KDM1AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL819364 0.77 ALOX5 (0.33) DHFRALOX5ALDH1A1KDM4EMTNR1A
Hydrochloric Acid SCHEMBL6909241 0.77 POLB (0.33) HTR2A
Hydrochloric Acid SCHEMBL4068158 0.76 ALDH1A1 (0.37) DHFRKDM1AALDH1A1KDM4EMTNR1A
Hydrochloric Acid SCHEMBL4094233 0.76 ALDH1A1 (0.37) DHFRKDM1AALDH1A1KDM4EMTNR1A
Hexane SCHEMBL8604593 0.76 TLR8 (0.35) ALDH1A1CNR1CNR2L3MBTL1SLC6A4
Hydrochloric Acid SCHEMBL8079745 0.75 ALDH1A1 (0.36) DHFRKDM1AALDH1A1KDM4EMTNR1A
Hydrochloric Acid SCHEMBL8072623 0.75 ALDH1A1 (0.36) DHFRKDM1AALDH1A1KDM4EMTNR1A
Hydrochloric Acid SCHEMBL7926942 0.74 KDM4E (0.34) DHFRALDH1A1KDM4EMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247510-B2 Copolymer and production process thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
US-20110288250-A1 Copolymer and Production Process Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-24 US disclosed
US-8044159-B2 Homopolymer and copolymer, and production process thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-25 US disclosed
US-7964691-B2 5,5-diallyl-2,2-dimethyl-1,3-dioxane as monomer units; polymerization catalysts; heat resistance SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-21 US disclosed
US-7956145-B2 Polymerization of 1,6-heptadiene in the presence of a catalyst formed by contacting a transition metal with a diimino aluminum or boron compound, giving a polymer structure of alternating ethylene and cyclopentene; superior balance between a heat resistance and workability SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-07 US disclosed
US-7943715-B2 Polymerization of 1,6-heptadiene in the presence of a catalyst formed by contacting a transition metal with a diimino aluminum or boron compound, giving a polymer structure of alternating ethylene and cyclopentene; superior balance between a heat resistance and workability SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
EP-1113026-B1 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL CO (JP) 2009-12-09 EP disclosed
US-20090171054-A1 HOMOPOLYMER AND COPOLYMER, AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-02 US disclosed
EP-2048167-A2 First catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
EP-2048169-A2 Third catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
US-6921800-B2 Modified aluminum oxy compound, polymerization catalyst and process for producing olefin polymer and alkenyl SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-26 US disclosed
US-6914108-B2 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-05 US disclosed
US-20040224838-A1 Modified aluminum oxy compound, polymerization catalyst and process for producing olefin polymer and alkenyl aromatic hydrocarbon polymer FUJITA MASAYUKI (JP) 2004-11-11 US disclosed
US-6664208-B1 For synthesis of highly stereoregular high molecular weight alphaolefin polymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-12-16 US disclosed
US-20030203810-A1 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED 2003-10-30 US disclosed
US-6586356-B2 Coordination catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-01 US disclosed
US-20020143124-A1 Homogeneous type solid catalyst component or homogeneous type solid catalyst, process for production thereof and process for producing addition polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-10-03 US disclosed
US-20010020075-A1 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-09-06 US disclosed
EP-1113026-A2 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-07-04 EP disclosed
EP-0985673-A2 Modified aluminium oxy compound, polymerization catalyst and process for producing olefin polymer and alkenyl aromatic hydrocarbon polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-03-15 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-20040224838-A1 Modified aluminum oxy compound, polymerization catalyst and process for producing olefin polymer and alkenyl aromatic hydrocarbon polymer AHR, ALOX5AP, ALOX15B CHRNA1 4503/4885CHRNG 4591/4885CHRNB1 4204/4885

“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.