SCHEMBL498634

SCHEMBL498634

Cc1cc(C=CC(=O)c2ccc(Br)cc2)cc(C)c1O

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.62
ESR2 Q92731 1/20 0.62
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
KRAS P01116 1/20 0.59
CYP1B1 Q16678 1/20 0.59
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2B6 P20813 1/20 0.57

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
SCHEMBL498633 1.00 ESR1 (0.62) ESR1ESR2CA1CA2KRAS
SCHEMBL13359041 0.87 MAPT (0.66) CYP1B1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29151961 0.86 TTR (0.59) CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL29151956 0.86 TTR (0.59) CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL3974902 0.84 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL498895 0.84 MAOB (0.65) CYP1B1
SCHEMBL30631203 0.84 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL498894 0.84 MAOB (0.65) CYP1B1
SCHEMBL3970919 0.84 TNFRSF1A (0.65) KRAS
SCHEMBL3970921 0.84 TNFRSF1A (0.65) KRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-8058308-B2 Substituted 1,3-diphenylprop-2-en-1-one derivatives, preparation and uses thereof GENFIT (FR) 2011-11-15 US disclosed
US-20110190515-A1 SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2011-08-04 US disclosed
US-7943661-B2 Antiischemic agents; for example 1-[2-hydroxy-4-chlorophenyl]-3-[4-carboxydimethylmethyloxyphenyl]prop-2-en-1-one; display peroxisome proliferator activated receptor (PPAR) activator, antioxidant and antiinflammatory properties GENFIT (FR) 2011-05-17 US disclosed
EP-1644312-B1 PREPARATION OF 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES GENFIT (FR) 2010-05-19 EP disclosed
US-20100120909-A1 COMPOSITION BASED ON SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2010-05-13 US disclosed
US-7632870-B2 Composition based on substituted 1,3-diphenylprop-2-en-1-one derivatives, preparation and uses thereof GENFIT (FR) 2009-12-15 US disclosed
US-7566737-B2 Combinations of substituted 1,3-diphenylprop-2-en-1-one derivatives with other therapeutically active ingredients GENFIT (FR) 2009-07-28 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 (7 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 ESR1 2078/4885ESR2 397/4885CA1 4658/4885
US-20110190515-A1 SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES, PREPARATION AND USES THEREOF PGF, PTGS1, PTGES3 ESR1 2704/4885ESR2 506/4885CA1 1465/4885
US-20100120909-A1 COMPOSITION BASED ON SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES, PREPARATION AND USES THEREOF BRCA1, COL1A1, APOL1 ESR1 907/4885ESR2 1091/4885CA1 4875/4885
US-20120129932-A1 COMPOSITION BASED ON SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES, PREPARATION AND USES THEREOF BRCA1, COL1A1, APOL1 ESR1 907/4885ESR2 1091/4885CA1 4875/4885
US-20050176808-A1 Substituted 1,3-diphenylprop-2-en-1-one derivatives and preparation and uses thereof PGF, PTGS1, PTGES3 ESR1 2634/4885ESR2 446/4885CA1 1455/4885
US-20050171149-A1 Composition based on substituted 1,3-diphenylprop-2-en-1-one derivatives, preparation and uses thereof BRCA1, LOXL1, APOL1 ESR1 1023/4885ESR2 1238/4885CA1 4880/4885
US-20060142611-A1 Preparation of 1,3-diphenylprop-2-en-1-one derivatives DPEP1, PKD1, ENPP1 ESR1 3612/4885ESR2 1415/4885CA1 4509/4885

“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.