SCHEMBL87334

SCHEMBL87334

C=CC[C](CC=C)CC=C

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALDH1A1 P00352 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
SCHEMBL8627365 0.81
SCHEMBL457035 0.78
SCHEMBL5808823 0.78
SCHEMBL5082969 0.78
SCHEMBL8673203 0.75 TSHR (0.33) TSHRALDH1A1
SCHEMBL176308 0.75 TSHR (0.39) TSHR
SCHEMBL2241721 0.73 TSHR (0.43) TSHRALDH1A1
SCHEMBL5133062 0.71 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL1101397 0.70
SCHEMBL31512657 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120205605-A1 ORGANIC REDOX ACTIVE COMPOUNDS WITH REVERSIBLE STORAGE OF CHARGES AND SUBSTRATES AND MOLECULAR MEMORY DEVICES COMPRISING THEM Commissariat a' l' energie atomique et aux energie alternatives (FR) 2012-08-16 US claimed
US-8173630-B2 Multipodal tethers for high-density attachment of redox-active moieties to substrates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-08 US claimed
US-7297461-B2 Radiation sensitive resin composition JSR CORPORATION (JP) 2007-11-20 US claimed
EP-1757980-A1 Radiation sensitive resin composition JSR Corporation (JP) 2007-02-28 EP claimed
US-20070042292-A1 Radiation sensitive resin composition JSR CORPORATION (JP) 2007-02-22 US claimed
US-7064214-B2 Methods of preparing sulfinamides and sulfoxides APSINTERM LLC (US) 2006-06-20 US claimed
US-20050171226-A1 Radiation sensitive resin composition JSR CORPORATION (JP) 2005-08-04 US claimed
US-20040110720-A1 Labelling compounds for the simple synthesis of 3'-(18f)fluoro-3'-deoxy thymidine and a method for the production thereof DEUTCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES O'FFENTLICHEN RECHTS (DE) 2004-06-10 US claimed
EP-1389184-A2 METHODS OF PREPARING SULFINAMIDE AND SULFOXIDES Apsinterm, LLC. (US) 2004-02-18 EP claimed
EP-1355915-A1 LABELLING COMPOUNDS FOR THE SIMPLE SYNTHESIS OF 3'(18F)FLUORO-3'-DEOXY THYMIDINE AND A METHOD FOR THE PRODUCTION THEREOF Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2003-10-29 EP claimed
US-20030083517-A1 Methods of preparing sulfinamides and sulfoxides APSINTERM LLC 2003-05-01 US claimed
WO-2002083608-A2 METHODS OF PREPARING SULFINAMIDE AND SULFOXIDES APSINTERM LLC (US) 2002-10-24 WO claimed
WO-2002060913-A1 LABELLING COMPOUNDS FOR THE SIMPLE SYNTHESIS OF 3'(18F)FLUORO-3'-DEOXY THYMIDINE AND A METHOD FOR THE PRODUCTION THEREOF Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2002-08-08 WO claimed
US-5200526-A Syntheses of optically pure α-amino acids from 3-amino-2-oxetanone salts THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 1993-04-06 US claimed
EP-0525929-A1 Process for producing organic ferromagnetic sustances DIRECTOR-GENERAL OF THE AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1993-02-03 EP claimed
US-4676915-A Antistatic composition and detergent compositions containing antistatic components COLGATE-PALMOLIVE COMPANY (US) 1987-06-30 US claimed
US-4626429-A Conditioning of hair with amides of trialkylacetic acids COLGATE-PALMOLIVE COMPANY (US) 1986-12-02 US claimed
US-4115057-A Process for the dyeing of fibrous materials containing basic functions in dyeing baths based on organic solvents MONTEDISON S.P.A. (IT) 1978-09-19 US claimed
US-4088668-A Acetylene derivatives MERRELL TORAUDE ET COMPAGNIE (FR) 1978-05-09 US claimed
US-3946060-A Acetylene derivatives RICHARDSON-MERRELL INC. (US) 1976-03-23 US claimed

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-20120205605-A1 ORGANIC REDOX ACTIVE COMPOUNDS WITH REVERSIBLE STORAGE OF CHARGES AND SUBSTRATES AND MOLECULAR MEMORY DEVICES COMPRISING THEM DDO, DAO, TSPO TSHR 1404/4885ALDH1A1 873/4885
US-20040110720-A1 Labelling compounds for the simple synthesis of 3'-(18f)fluoro-3'-deoxy thymidine and a method for the production thereof TK1, TYMS, TYMP TSHR 333/4885ALDH1A1 1566/4885
US-20030083517-A1 Methods of preparing sulfinamides and sulfoxides STS, TST, CBS TSHR 2609/4885ALDH1A1 1032/4885

“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.