SCHEMBL2820641

SCHEMBL2820641

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

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.35
TSHR P16473 1/20 0.35
GABRR1 P24046 2/20 0.35
CYP1A2 P05177 1/20 0.35
FOLH1 Q04609 2/20 0.34
NAALAD2 Q9Y3Q0 2/20 0.34
TP53 P04637 1/20 0.33
ACE2 Q9BYF1 1/20 0.32

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
SCHEMBL4460559 1.00 FFAR3 (0.35) FFAR3TSHRGABRR1CYP1A2FOLH1
SCHEMBL2820638 1.00 FFAR3 (0.35) FFAR3TSHRGABRR1CYP1A2FOLH1
SCHEMBL3515517 0.92 ALDH1A1 (0.32) FFAR3TSHRGABRR1CYP1A2FOLH1
SCHEMBL3515511 0.92 ALDH1A1 (0.32) FFAR3TSHRGABRR1CYP1A2FOLH1
Ammonia Solution, Strong SCHEMBL6313571 0.85 FOLH1 (0.30) GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL7094019 0.83 GABRR1 (0.33) GABRR1
SCHEMBL3516780 0.79
SCHEMBL3516784 0.79
SCHEMBL3860250 0.77
SCHEMBL188105 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0233299-B1 OPTICAL RESIN AND PROCESS FOR PREPARING THE SAME NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-03-13 EP claimed
US-20100226855-A1 Rate-Controlled Oral Dosage Formulations SPHERICS, INC. (US) 2010-09-09 US disclosed
US-7608303-B2 applying overcoating compositions that are useful as exterior clear finishes for automobiles and trucks; reactive putties; reactive cycloaliphatic norbornane derivative containing methylene amine groups react with polyisocyanate crosslinking agent to form polyurea; pot life, fast curing time E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-10-27 US disclosed
US-20080299204-A1 Dosage forms for movement disorder treatment SPHERICS, INC. (US) 2008-12-04 US disclosed
US-20080260824-A1 Bioadhesive Rate-Controlled Oral Dosage Formulations SPHERICS, INC. (US) 2008-10-23 US disclosed
US-7427647-B2 Durable coating compositions containing aspartic amine compounds with improved potlife E.I. DU PONT DE NEMOURS & COMPANY (US) 2008-09-23 US disclosed
EP-1833871-B1 DURABLE COATING COMPOSITIONS CONTAINING ASPARTIC AMINE COMPOUNDS DU PONT (US) 2008-08-20 EP disclosed
US-20080131492-A1 Dosage forms for movement disorder treatment SPHERICS, INC. (US) 2008-06-05 US disclosed
EP-1858948-A2 DURABLE COATING COMPOSITIONS CONTAINING ASPARTIC AMINE COMPOUNDS WITH IMPROVED POTLIFE E.I.Du pont de nemours and company (US) 2007-11-28 EP disclosed
EP-1833871-A1 DURABLE COATING COMPOSITIONS CONTAINING ASPARTIC AMINE COMPOUNDS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2007-09-19 EP disclosed
US-20060228485-A1 Durable coating compositions containing aspartic amine compounds E. I. DU PONT DE NEMOURS AND COMPANY 2006-10-12 US disclosed
US-20060217565-A1 Process for producing chromone compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-09-28 US disclosed
WO-2006076724-A2 DURABLE COATING COMPOSITIONS CONTAINING ASPARTIC AMINE COMPOUNDS WITH IMPROVED POTLIFE E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-07-20 WO disclosed
US-20060155055-A1 Durable coating compositions containing aspartic amine compounds with improved potlife E. I. DU PONT DE NEMOURS AND COMPANY 2006-07-13 US disclosed
US-20060141161-A1 Durable coating compositions containing aspartic amine compounds AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2006-06-29 US disclosed
WO-2006066030-A1 DURABLE COATING COMPOSITIONS CONTAINING ASPARTIC AMINE COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-06-22 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 (5 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-20080260824-A1 Bioadhesive Rate-Controlled Oral Dosage Formulations SORD, FHIT, ABCB1 FFAR3 3140/4885TSHR 3813/4885GABRR1 656/4885
US-20080131492-A1 Dosage forms for movement disorder treatment PARK7, SNCA, HTT FFAR3 3986/4885TSHR 2734/4885GABRR1 231/4885
US-20100226855-A1 Rate-Controlled Oral Dosage Formulations ABCB1, SLC47A2, CYP2D6 FFAR3 824/4885TSHR 2855/4885GABRR1 2102/4885
US-20060217565-A1 Process for producing chromone compound ENY2, CDY1; CDY1B, CDYL FFAR3 559/4885TSHR 1710/4885GABRR1 4542/4885
US-20080299204-A1 Dosage forms for movement disorder treatment PARK7, SNCA, HTT FFAR3 3986/4885TSHR 2734/4885GABRR1 231/4885

“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.