SCHEMBL499507

SCHEMBL499507

Cc1csc(C(=O)C=Cc2cc(C)c(O)c(C)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2B6 P20813 1/20 0.56
KDR P35968 3/20 0.48
DAO P14920 1/20 0.46
ALOX5 P09917 2/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44

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
SCHEMBL21219011 1.00 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL4462266 0.85 KDR (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL2598085 0.84 KDR (0.44) CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL2597970 0.83 KDR (0.44) CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL3969025 0.82 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL3974927 0.79 KDR (0.43) CYP3A4KDRDAO
SCHEMBL28413554 0.78 PPARA (0.62) KDRDAO
SCHEMBL6781413 0.78 KDR (0.52) CYP1A2CYP3A4CYP2D6KDRDAO
SCHEMBL18551815 0.78 MAOA (0.51) CYP1A2CYP2D6KDRDAO
SCHEMBL3969847 0.77 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109316601-B Pharmaceutical composition and use thereof 武汉朗来科技发展有限公司 2021-11-09 CN disclosed
EP-2571843-B1 IMPROVED PREPARATION OF CHALCONE DERIVATIVES GENFIT (FR) 2017-12-27 EP disclosed
US-8765992-B2 Preparation of chalcone derivatives GENFIT (FR) 2014-07-01 US disclosed
US-8461212-B2 Composition based on substituted 1,3-diphenylprop-2-en-1-one derivatives, preparation and uses thereof GENFIT (FR) 2013-06-11 US disclosed
US-20130131372-A1 PREPARATION OF CHALCONE DERIVATIVES GENFIT (FR) 2013-05-23 US disclosed
EP-2571843-A1 IMPROVED PREPARATION OF CHALCONE DERIVATIVES Genfit (FR) 2013-03-27 EP disclosed
US-20120129932-A1 COMPOSITION BASED ON SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2012-05-24 US disclosed
US-8106097-B2 Composition based on substituted 1,3-diphenylprop-2-en-1-one derivatives, preparation and uses thereof GENFIT (FR) 2012-01-31 US disclosed
WO-2011144579-A1 IMPROVED PREPARATION OF CHALCONE DERIVATIVES GENFIT (FR) 2011-11-24 WO disclosed
US-8058308-B2 Substituted 1,3-diphenylprop-2-en-1-one derivatives, preparation and uses thereof GENFIT (FR) 2011-11-15 US disclosed
US-20070032543-A1 Combinations of substituted 1,3-diphenylprop-2-EN-1-one derivatives with other therapeutically active ingredients GENFIT (FR) 2007-02-08 US disclosed
US-20060142611-A1 Preparation of 1,3-diphenylprop-2-en-1-one derivatives GENFIT (FR) 2006-06-29 US disclosed
EP-1644312-A1 PREPARATION OF 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES Genfit (FR) 2006-04-12 EP disclosed
US-20050176808-A1 Substituted 1,3-diphenylprop-2-en-1-one derivatives and preparation and uses thereof GENFIT (FR) 2005-08-11 US disclosed
US-20050171149-A1 Composition based on substituted 1,3-diphenylprop-2-en-1-one derivatives, preparation and uses thereof GENFIT (FR) 2005-08-04 US disclosed
EP-1525177-A1 SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES AND PREPARATION AND USES THEREOF Genfit (FR) 2005-04-27 EP disclosed
EP-1519908-A2 COMPOSITION BASED ON SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES, PREPARATION AND USES THEREOF Genfit (FR) 2005-04-06 EP disclosed
WO-2005005369-A1 PREPARATION OF 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES GENFIT (FR) 2005-01-20 WO disclosed
WO-2004005243-A2 COMPOSITION BASED ON SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES GENFIT (FR) 2004-01-15 WO disclosed
WO-2004005233-A1 SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES AND PREPARATION AND USES THEREOF GENFIT (FR) 2004-01-15 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 (6 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-20070032543-A1 Combinations of substituted 1,3-diphenylprop-2-EN-1-one derivatives with other therapeutically active ingredients PSEN1, BACE1, PSEN2 CYP1A2 1583/4885CYP3A4 3088/4885CYP2D6 2461/4885
US-20120129932-A1 COMPOSITION BASED ON SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES, PREPARATION AND USES THEREOF BRCA1, COL1A1, APOL1 CYP1A2 1330/4885CYP3A4 3511/4885CYP2D6 1913/4885
US-20050176808-A1 Substituted 1,3-diphenylprop-2-en-1-one derivatives and preparation and uses thereof PGF, PTGS1, PTGES3 CYP1A2 1038/4885CYP3A4 1522/4885CYP2D6 998/4885
US-20050171149-A1 Composition based on substituted 1,3-diphenylprop-2-en-1-one derivatives, preparation and uses thereof BRCA1, LOXL1, APOL1 CYP1A2 1532/4885CYP3A4 3581/4885CYP2D6 1879/4885
US-20060142611-A1 Preparation of 1,3-diphenylprop-2-en-1-one derivatives DPEP1, PKD1, ENPP1 CYP1A2 957/4885CYP3A4 1149/4885CYP2D6 403/4885
US-20130131372-A1 PREPARATION OF CHALCONE DERIVATIVES SULT1E1, HCCS, STS CYP1A2 288/4885CYP3A4 201/4885CYP2D6 129/4885

“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.