SCHEMBL691227

SCHEMBL691227

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.60
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA7 P43166 4/20 0.46
CA9 Q16790 4/20 0.46
CA14 Q9ULX7 4/20 0.46
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36

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
SCHEMBL16522486 1.00 HCAR2 (0.60) HCAR2CA12CA1CA2CA7
SCHEMBL691226 1.00 HCAR2 (0.60) HCAR2CA12CA1CA2CA7
SCHEMBL13347169 0.84 HCAR2 (0.54) HCAR2CA12CA1CA2CA7
SCHEMBL178194 0.84 HCAR2 (0.80) HCAR2CA12CA1CA2CA7
SCHEMBL177748 0.84 HCAR2 (0.80) HCAR2CA12CA1CA2CA7
SCHEMBL177747 0.84 HCAR2 (0.80) HCAR2CA12CA1CA2CA7
SCHEMBL9577830 0.83 HCAR2 (0.58) HCAR2CA12CA1CA2CA7
SCHEMBL27659116 0.81 HCAR2 (0.76) HCAR2CA12CA1CA2CA7
SCHEMBL28488031 0.81 HCAR2 (0.56) HCAR2CA12CA1CA2CA7
Methoxymethane SCHEMBL22042961 0.79 HCAR2 (0.73) HCAR2CA12CA1CA2CA7

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2857427-B1 CATALYST COMPOSITION FOR POLYURETHANE RESIN PRODUCTION AND METHOD FOR PRODUCING POLYURETHANE RESIN USING SAME TOSOH CORP (JP) 2020-01-08 EP disclosed
EP-2857427-A1 CATALYST COMPOSITION FOR POLYURETHANE RESIN PRODUCTION AND METHOD FOR PRODUCING POLYURETHANE RESIN USING SAME Tosoh Corporation (JP) 2015-04-08 EP disclosed
CN-101965330-B Method for producing beta-mercapto carboxylic acids SHOWA DENKO KK 2014-07-23 CN disclosed
EP-1666440-B1 METHOD FOR PRODUCING AROMATIC UNSATURATED COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-01-22 EP disclosed
US-8258340-B2 Method for producing β-mercapto carboxylic acids SHOWA DENKO K.K. (JP) 2012-09-04 US disclosed
EP-2205557-B1 METHOD FOR PRODUCING BETA-MERCAPTOCARBOXYLIC ACIDS SHOWA DENKO KK (JP) 2012-02-29 EP disclosed
US-7939674-B2 Process for producing an aromatic unsaturated compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-10 US disclosed
CN-101965330-A Method for producing beta-mercapto carboxylic acids SHOWA DENKO KK 2011-02-02 CN disclosed
US-20110015436-A1 METHOD FOR PRODUCING BETA-MERCAPTO CARBOXYLIC ACIDS SHOWA DENKO K.K. (JP) 2011-01-20 US disclosed
US-20110004017-A1 METHOD FOR PRODUCING B-MERCAPTOCARBOXYLIC ACIDS SHOWA DENKO K.K. (JP) 2011-01-06 US disclosed
EP-2268614-A1 METHOD FOR PRODUCING BETA-MERCAPTO CARBOXYLIC ACIDS Showa Denko K.K. (JP) 2011-01-05 EP disclosed
CN-101801922-A Method for producing beta-mercaptocarboxylic acids SHOWA DENKO KK 2010-08-11 CN disclosed
EP-2205557-A2 METHOD FOR PRODUCING BETA-MERCAPTOCARBOXYLIC ACIDS Showa Denko K.K. (JP) 2010-07-14 EP disclosed
US-7700642-B2 Process for producing an aromatic unsaturated compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-20 US disclosed
WO-2009113711-A1 METHOD FOR PRODUCING -MERCAPTO CARBOXYLIC ACIDS SHOWA DENKO K.K. (JP) 2009-09-17 WO disclosed
US-20090111999-A1 PROCESS FOR PRODUCING AN AROMATIC UNSATURATED COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
WO-2009038232-A2 METHOD FOR PRODUCING BETA-MERCAPTOCARBOXYLIC ACIDS SHOWA DENKO K.K. (JP) 2009-03-26 WO disclosed
US-20080221337-A1 Process for Producing an Aromatic Unsaturated Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-11 US disclosed
EP-1666440-A1 METHOD FOR PRODUCING AROMATIC UNSATURATED COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-06-07 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 (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-20080221337-A1 Process for Producing an Aromatic Unsaturated Compound AHR, AR, ARSA HCAR2 122/4885CA12 2713/4885CA1 1520/4885
US-20110015436-A1 METHOD FOR PRODUCING BETA-MERCAPTO CARBOXYLIC ACIDS CBS, ALDH7A1, CBR1 HCAR2 174/4885CA12 741/4885CA1 349/4885
US-20090111999-A1 PROCESS FOR PRODUCING AN AROMATIC UNSATURATED COMPOUND AHR, AR, ARSA HCAR2 122/4885CA12 2713/4885CA1 1520/4885

“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.