Hydrochloric Acid

Hydrochloric Acid

SCHEMBL819364

CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Ti+2](=C(C)C)C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21.[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
SLC6A2 known ✓ P23975 2/20 0.31
SLC6A3 known ✓ Q01959 2/20 0.31
CHRNA1 known ✓ P02708 1/20 0.31
CHRNG known ✓ P07510 1/20 0.31
CHRNB1 known ✓ P11230 1/20 0.31
CHRND known ✓ Q07001 1/20 0.31
ALOX5 P09917 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
CYP2A6 P11509 1/20 0.31
SLC6A4 P31645 2/20 0.31
CYP2D6 P10635 1/20 0.31

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 SCHEMBL819655 0.86 KDM4E (0.34) ALDH1A1KDM4EHPGDMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL820471 0.82 PDCD1 (0.34) ALDH1A1HPGDCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL29790401 0.82 KDM1A (0.32) ALOX5CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL2535528 0.82 KDM1A (0.32) ALOX5CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL2534285 0.77
Hydrochloric Acid SCHEMBL819361 0.77 DHFR (0.35) ALOX5ALDH1A1KDM4EHPGDMTNR1A
Hexane SCHEMBL8604595 0.77 CNR1 (0.35) SLC6A4
Hydrochloric Acid SCHEMBL6461018 0.76 KDM4E (0.32) ALOX5CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL4060835 0.76 ALDH1A1 (0.35) CA12CA1CA2CA9ALDH1A1
Hydrochloric Acid SCHEMBL4094244 0.76 ALDH1A1 (0.35) CA12CA1CA2CA9ALDH1A1

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 34 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 SLC6A2 3138/4885SLC6A3 3463/4885CHRNA1 4503/4885

“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.