SCHEMBL502136

SCHEMBL502136

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.46
CHRM1 P11229 1/20 0.46
TBXA2R P21731 1/20 0.46
ADRA1A P35348 1/20 0.46
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 2/20 0.44
TSHR P16473 2/20 0.44
CYP2D6 P10635 1/20 0.44
KDM4E B2RXH2 1/20 0.39
FFAR1 O14842 1/20 0.39
CPT2 P23786 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.35
FFAR3 O14843 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
SCHEMBL7917810 1.00 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL5004245 1.00 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL11134540 0.80 ALDH1A1 (0.30) TDP1ALDH1A1
SCHEMBL11449359 0.80 ALDH1A1 (0.30) TDP1ALDH1A1
SCHEMBL11134527 0.80 ALDH1A1 (0.30) TDP1ALDH1A1
SCHEMBL27324574 0.80 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL22070965 0.78 HMGCR (0.44) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL10880649 0.78 HMGCR (0.44) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL28702595 0.78 HMGCR (0.44) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL10880652 0.78 HMGCR (0.44) HMGCRCHRM1TBXA2RADRA1ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5391580-A Polymer layer directly attached to polypropylene tube and active heparin linked through covalent bond to the layer ANATRACE INC. (US) 1995-02-21 US claimed
CN-102001940-B Continuous synthesis method for methyl 3,3-dimethyl pentenoate JIANGSU YOUTH CHEMICAL CO LTD 2013-07-24 CN disclosed
US-8318767-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP (US) 2012-11-27 US disclosed
US-8193228-B2 Substituted imidazole as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-06-05 US disclosed
US-20120088788-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS SCHERING CORPORATION 2012-04-12 US disclosed
US-8106070-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-01-31 US disclosed
CN-102001940-A Continuous synthesis method for methyl-3,3-dimethyl-4-pentenoate YOUTH CHEMICAL CO LTD 2011-04-06 CN disclosed
CN-102001940-A Continuous synthesis method for methyl-3,3-dimethyl-4-pentenoate YOUTH CHEMICAL CO LTD 2011-04-06 CN disclosed
US-20100022598-A1 Substituted inmidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME LLC 2010-01-28 US disclosed
US-20100004280-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators ALBANY MOLECULAR RESEARCH, INC. 2010-01-07 US disclosed
EP-0998504-A1 POLYMERIZATION OF OLEFINS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-10 EP disclosed
US-6046281-A REACTING A LIVING CATIONIC POLYMER WITH AN ORGANIC COMPOUND HAVING AT LEAST 2 FURAN RINGS IN ITS MOLECULE, SUCH AS DIFURANYLHEXANE IN THE PRESENCE OF A LEWIS ACID UNIVERSITY OF MASSACHUSETTS LOWELL (US) 2000-04-04 US disclosed
WO-1999054324-A1 PREPARATION OF CIS-6,6-DIMETHYL-3-OXA-BICYCLO[3.1.0]HEXAN-2-ONE ZENECA LIMITED (GB) 1999-10-28 WO disclosed
WO-1999024480-A1 METHOD FOR COUPLING LIVING CATIONIC POLYMERS DOW CORNING CORPORATION (US) 1999-05-20 WO disclosed
WO-1999006397-A2 PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1999-02-11 WO disclosed
WO-1999005189-A1 POLYMERIZATION OF OLEFINS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-02-04 WO disclosed
US-5834136-A POLYMERIC MATRICES FOR NONAQUEOUS ELECTROCHEMICAL CELLS VALENCE TECHNOLOGY, INC. (US) 1998-11-10 US disclosed
WO-1997049137-A1 METHOD OF PREPARING POLYMERIC ELECTROLYTES VALENCE TECHNOLOGY, INC. (US) 1997-12-24 WO disclosed
EP-0763015-A1 SYSTEMATIC MODULAR PRODUCTION OF AMINIMIDE- AND OXAZOLONE- BASED MOLECULES HAVING AT LEAST TWO STRUCTURAL DIVERSITY ELEMENTS ARQULE, INC. (US) 1997-03-19 EP disclosed
US-5391580-A Polymer layer directly attached to polypropylene tube and active heparin linked through covalent bond to the layer ANATRACE INC. (US) 1995-02-21 US 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-20120088788-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS BRS3, GPR119, GIPR HMGCR 4611/4885CHRM1 558/4885TBXA2R 461/4885
US-20100004280-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR HMGCR 4611/4885CHRM1 558/4885TBXA2R 461/4885
US-20100022598-A1 Substituted inmidazoles as bombesin receptor subtype-3 modulators BRS3, INSR, INSRR HMGCR 4609/4885CHRM1 928/4885TBXA2R 607/4885

“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.