SCHEMBL992095

SCHEMBL992095

C=CC(OC(C)=O)OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
ALDH1A1 P00352 3/20 0.38
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
HSD17B10 Q99714 1/20 0.33
GALR3 O60755 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 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
SCHEMBL7771732 0.91 TSHR (0.39) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL29164011 0.90 TSHR (0.42) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL7644505 0.89 TSHR (0.38) TSHRALDH1A1HSD17B10
SCHEMBL19029436 0.87
SCHEMBL23161207 0.87 TSHR (0.36) TSHRALDH1A1TDP1HSD17B10
SCHEMBL7644159 0.87 ALDH1A1 (0.39) TSHRALDH1A1TDP1HSD17B10
SCHEMBL9428432 0.85
SCHEMBL28638025 0.80 TSHR (0.34) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL11217528 0.79 MCL1 (0.31) TSHR
SCHEMBL13454198 0.78 TSHR (0.46) TSHRALDH1A1CHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3157998-B1 MOISTURE-CURABLE POLYMERIC COMPOSITIONS HAVING HALOGENATED POLYMERS AND METAL MERCAPTIDES DOW GLOBAL TECHNOLOGIES LLC (US) 2018-07-25 EP claimed
EP-2334718-B1 POLY VINYL CHLORIDE FOAM PROMOTERS PMC ORGANOMETALLIX INC (US) 2016-02-17 EP claimed
CN-101605774-B 2-methyl-3-(3,4-methylenedioxyphenyl)propanal, and method for production thereof UBE INDUSTRIES 2013-05-29 CN claimed
CN-101622238-B Method of retaining the quality of 2-methyl-3-(3,4-methylenedioxyphenyl)propanal and process for producing the same UBE INDUSTRIES 2013-05-29 CN claimed
CN-101622238-A Method of retaining the quality of 2-methyl-3-(3,4-methylenedioxyphenyl)propanal and process for producing the same UBE INDUSTRIES 2010-01-06 CN claimed
CN-101605774-A 2-methyl-3-(3, the 4-methylene dioxy phenyl group) propionic aldehyde and manufacture method thereof UBE INDUSTRIES (JP) 2009-12-16 CN claimed
CN-100336811-C Method for preparing 1-acetoxyl-3- (substituted phenyl) propylene compound UBE INDUSTRIES (JP) 2007-09-12 CN claimed
EP-1574509-B1 PROCESS FOR THE PRODUCTION OF 1-ACETOXY-3-(SUBSTITUTED PHENYL)PROPENES UBE INDUSTRIES (JP) 2007-06-13 EP claimed
US-7173148-B2 Process for producing 1-acetoxy-3-(substituted phenyl)propene compound UBE INDUSTRIES, LTD. (JP) 2007-02-06 US claimed
US-20060069273-A1 Process for producing 1-acetoxy-3-(substituded phenyl) propenes UBE INDUSTRIES, LTD. (JP) 2006-03-30 US claimed
CN-1738811-A Method for preparing 1-acetoxyl-3- (substituted phenyl) propylene compound UBE INDUSTRIES (JP) 2006-02-22 CN claimed
EP-1574509-A1 PROCESS FOR THE PRODUCTION OF 1-ACETOXY-3-(SUBSTITUTED PHENYL)PROPENES Ube Industries, Ltd. (JP) 2005-09-14 EP claimed
EP-1115787-B1 HALOGEN CONTAINING POLYMER COMPOUNDS CONTAINING MODIFIED ZEOLITE STABILIZERS NOVEON IP HOLDINGS CORP (US) 2004-11-24 EP claimed
EP-0977742-B1 THE PREPARATION OF ENANTIOMERICALLY ENRICHED OXAZOLONES AND ALPHA, ALPHA-DISUBSTITUTED AMINO ACIDS UNIV LELAND STANFORD JUNIOR (US) 2003-09-10 EP claimed
EP-1044205-A4 CHEMICAL ACETYLATION OF DESACETYL-CEPHALOSPORINS BRISTOL MYERS SQUIBB CO (US) 2001-12-05 EP claimed
EP-1044205-A1 CHEMICAL ACETYLATION OF DESACETYL-CEPHALOSPORINS Bristol-Myers Squibb Company (US) 2000-10-18 EP claimed
EP-0977742-A1 THE PREPARATION OF ENANTIOMERICALLY ENRICHED OXAZOLONES AND ALPHA, ALPHA-DISUBSTITUTED AMINO ACIDS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2000-02-09 EP claimed
US-5917032-A ACETYL DONOR AND DICYCLOHEXYLAMINE ACTIVATOR OR CATALYST. BRISTOL-MYERS SQUIBB COMPANY (US) 1999-06-29 US claimed
WO-1999023098-A1 CHEMICAL ACETYLATION OF DESACETYL-CEPHALOSPORINS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-05-14 WO claimed
WO-1998046578-A1 THE PREPARATION OF ENANTIOMERICALLY ENRICHED OXAZOLONES AND α,α-DISUBSTITUTED AMINO ACIDS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1998-10-22 WO 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 (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-20060069273-A1 Process for producing 1-acetoxy-3-(substituded phenyl) propenes AKR1C4, PAH, AKR1C3 TSHR 1110/4885ALDH1A1 239/4885CHRM2 2415/4885

“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.