SCHEMBL3501288

SCHEMBL3501288

CC(C)C(O)(CC#N)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP2C19 P33261 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
SCHEMBL336818 0.74 ALDH1A1 (0.30) ALDH1A1CYP2C19
SCHEMBL18096789 0.74
SCHEMBL12868887 0.69
SCHEMBL457883 0.67
SCHEMBL2973761 0.67
Water SCHEMBL17800994 0.67
Methyl Alcohol SCHEMBL4608132 0.67 ALDH1A1 (0.33) ALDH1A1
SCHEMBL12146105 0.67
SCHEMBL16885348 0.67 AR (0.30)
SCHEMBL16885336 0.67 AR (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091011-B2 3-hydroxycarboxylic acid production and use in branched polymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-08-15 US claimed
US-20030170837-A1 3-hydroxycarboxylic acid production and use in branched polymers AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2003-09-11 US claimed
US-20030166180-A1 3-Hydroxycarboxylic acid production and use in branched polymers AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2003-09-04 US claimed
EP-1309715-A2 3-HYDROXYCARBOXYLIC ACID PRODUCTION AND USE IN BRANCHED POLYMERS E.I. Dupont de Nemours and Company (US) 2003-05-14 EP claimed
US-6562603-B2 Forming hydroxy group containing acid from hydroxy groupcontaining nitrile; polylactones E. I. DU PONT DE NEMOURS AND COMPANY 2003-05-13 US claimed
US-20020039770-A1 3-Hydroxycarboxylic acid production and use in branched polymers AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2002-04-04 US claimed
WO-2002012530-A2 3-HYDROXYCARBOXYLIC ACID PRODUCTION AND USE IN BRANCHED POLYMERS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2002-02-14 WO claimed
CN-102277363-B Nitrilase mutants is used to produce 3-hydroxycarboxylic acid E. I. DU PONT DE NEMOURS AND CO. (US) 2015-09-02 CN disclosed
CN-102286500-B Production of 3-hydroxycarboxylic acid using nitrilase DU PONT 2014-02-19 CN disclosed
CN-102260693-B Production of 3-hydroxycarboxylic acid using nitrilase mutants DU PONT 2013-06-19 CN disclosed
CN-102260696-B Production of 3-hydroxycarboxylic acid using nitrilase mutants DU PONT 2013-03-27 CN disclosed
CN-102260695-B Production of 3-hydroxycarboxylic acid using nitrilase mutants DU PONT 2012-09-05 CN disclosed
CN-102286500-A Production of 3-hydroxycarboxylic acid using nitrilase 2011-12-21 CN disclosed
US-20060035352-A1 Production of 3-hydroxycarboxylic acid using nitrilase PURETECH SCIENTIFIC LLC 2006-02-16 US disclosed
US-20030170837-A1 3-hydroxycarboxylic acid production and use in branched polymers AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2003-09-11 US disclosed
US-20030166180-A1 3-Hydroxycarboxylic acid production and use in branched polymers AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2003-09-04 US disclosed
EP-1309715-A2 3-HYDROXYCARBOXYLIC ACID PRODUCTION AND USE IN BRANCHED POLYMERS E.I. Dupont de Nemours and Company (US) 2003-05-14 EP disclosed
US-6562603-B2 Forming hydroxy group containing acid from hydroxy groupcontaining nitrile; polylactones E. I. DU PONT DE NEMOURS AND COMPANY 2003-05-13 US disclosed
US-20020039770-A1 3-Hydroxycarboxylic acid production and use in branched polymers AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2002-04-04 US disclosed
WO-2002012530-A2 3-HYDROXYCARBOXYLIC ACID PRODUCTION AND USE IN BRANCHED POLYMERS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2002-02-14 WO 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-20060035352-A1 Production of 3-hydroxycarboxylic acid using nitrilase HPD, CYP2W1, HAAO ALDH1A1 695/4885CYP2C19 1264/4885

“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.