SCHEMBL812341

SCHEMBL812341

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
DGAT1 O75907 1/20 0.36
PRKCA P17252 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
Water SCHEMBL11753275 0.97 ALOX15 (0.38) ALOX15TSHRDGAT1PRKCACHRM2
SCHEMBL10295467 0.82 DGAT1 (0.34) DGAT1GAA
SCHEMBL10295313 0.82 DGAT1 (0.34) DGAT1GAA
SCHEMBL510534 0.80 DGAT1 (0.33) DGAT1
SCHEMBL1320078 0.80 DGAT1 (0.33) ALOX15DGAT1
SCHEMBL29874055 0.80 DGAT1 (0.33) DGAT1
SCHEMBL1320080 0.80 DGAT1 (0.33) ALOX15DGAT1
SCHEMBL15482560 0.80 DGAT1 (0.33) DGAT1
SCHEMBL510535 0.80 DGAT1 (0.33) DGAT1
SCHEMBL8416376 0.78 DGAT1 (0.32) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106977383-A A kind of method for preparing citral 万华化学集团股份有限公司 2017-07-25 CN claimed
US-8067644-B2 Process for conducting an organic reaction in ionic liquids THE PROCTER & GAMBLE COMPANY (US) 2011-11-29 US claimed
EP-2370387-A2 PROCESS FOR CONDUCTING AN ORGANIC REACTION IN IONIC LIQUIDS The Procter & Gamble Company (US) 2011-10-05 EP claimed
US-20110152566-A1 Process for Conducting an Organic Reaction in Ionic Liquids THE PROCTER & GAMBLE COMPANY 2011-06-23 US claimed
WO-2010080505-A2 PROCESS FOR CONDUCTING AN ORGANIC REACTION IN IONIC LIQUIDS THE PROCTER & GAMBLE COMPANY (US) 2010-07-15 WO claimed
US-9840640-B2 Article having antifouling properties for aquatic and particularly sea use BLUESTAR SILICONES FRANCE (FR) 2017-12-12 US disclosed
US-9840640-B2 Article having antifouling properties for aquatic and particularly sea use BLUESTAR SILICONES FRANCE (FR) 2017-12-12 US disclosed
EP-2868651-B1 Method for producing 2-isopropylidene-5-methyl-4-hexenyl butyrate SHINETSU CHEMICAL CO (JP) 2017-08-09 EP disclosed
US-20170210701-A1 SUBSTITUTED CYANO CYCLOALKYL PENTA-2,4-DIENES, CYANO CYCLOALKYL PENT-2-EN-4-YNES, CYANO HETEROCYCLYL PENTA-2,4-DIENES AND CYANO HETEROCYCLYL PENT-2-EN-4-YNES AS ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-27 US disclosed
CN-106977383-A A kind of method for preparing citral 万华化学集团股份有限公司 2017-07-25 CN disclosed
US-9359553-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-06-07 US disclosed
WO-2016012362-A1 SUBSTITUTED CYANO CYCLOALKYL PENTA-2,4-DIENES, CYANO CYCLOALKYL PENT-2-EN-4-YNES, CYANO HETEROCYCLYL PENTA-2,4-DIENES AND CYANO HETEROCYCLYL PENT-2-EN-4-YNES AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-01-28 WO disclosed
US-20110212333-A1 ARTICLE HAVING ANTIFOULING PROPERTIES FOR AQUATIC AND PARTICULARLY SEA USE BLUESTAR SILICONES FRANCE (FR) 2011-09-01 US disclosed
US-20110212333-A1 ARTICLE HAVING ANTIFOULING PROPERTIES FOR AQUATIC AND PARTICULARLY SEA USE BLUESTAR SILICONES FRANCE (FR) 2011-09-01 US disclosed
US-20110152566-A1 Process for Conducting an Organic Reaction in Ionic Liquids THE PROCTER & GAMBLE COMPANY 2011-06-23 US disclosed
WO-2010080505-A2 PROCESS FOR CONDUCTING AN ORGANIC REACTION IN IONIC LIQUIDS THE PROCTER & GAMBLE COMPANY (US) 2010-07-15 WO disclosed
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
US-6342627-B1 ESTER INTERCHANGE WITH ALCOHOL IN THE PRESENCE OF LANTHANOIDE METAL ALKOXIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-29 US disclosed
US-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 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 (2 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-20170210701-A1 SUBSTITUTED CYANO CYCLOALKYL PENTA-2,4-DIENES, CYANO CYCLOALKYL PENT-2-EN-4-YNES, CYANO HETEROCYCLYL PENTA-2,4-DIENES AND CYANO HETEROCYCLYL PENT-2-EN-4-YNES AS ACTIVE SUBSTANCES CBR3, NPY2R, CBR1 ALOX15 1173/4885TSHR 2831/4885DGAT1 2896/4885
US-20110152566-A1 Process for Conducting an Organic Reaction in Ionic Liquids ACSL3, ACSL1, MCOLN1 ALOX15 50/4885TSHR 3361/4885DGAT1 518/4885

“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.