SCHEMBL499455

SCHEMBL499455

CCOC(=O)c1ccc(C(=O)/C=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(O)c1OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 2/20 0.42
GABBR1 Q9UBS5 2/20 0.42
TNFRSF1A P19438 1/20 0.41
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
FNTA P49354 2/20 0.38
FNTB P49356 2/20 0.38
CYP3A4 P08684 1/20 0.37
HMGCR P04035 2/20 0.36
GPR55 Q9Y2T6 1/20 0.36
NR1I2 O75469 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL3967833 0.89 TNFRSF1A (0.46) GABBR2GABBR1TNFRSF1APTGS1PTGS2
SCHEMBL498775 0.86 GABBR2 (0.49) GABBR2GABBR1TNFRSF1APTGS1PTGS2
SCHEMBL3964763 0.76 CYP1A2 (0.43) PTGS1PTGS2CYP3A4CA12CA1
SCHEMBL498830 0.74 CYP1A2 (0.46) CYP3A4KDM4EALDH1A1
SCHEMBL498656 0.72 ALDH1A1 (0.53) TNFRSF1APTGS1PTGS2CYP3A4ALDH1A1
SCHEMBL6910750 0.72 CYP3A4 (0.61) GABBR2GABBR1TNFRSF1APTGS1PTGS2
SCHEMBL6910749 0.72 CYP3A4 (0.61) GABBR2GABBR1TNFRSF1APTGS1PTGS2
SCHEMBL499222 0.72 GABBR2 (0.44) GABBR2GABBR1TNFRSF1APTGS1PTGS2
SCHEMBL814704 0.71 ABCG2 (0.46) CYP3A4ALDH1A1HPGDMAOB
SCHEMBL27904472 0.71 CYP3A4 (0.59) GABBR2GABBR1TNFRSF1APTGS1PTGS2

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 19 patents. 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 claimed
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 claimed
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 claimed
EP-1525177-B1 SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-06-27 EP claimed
EP-1519908-B1 COMPOSITION BASED ON SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-06-13 EP claimed
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 claimed
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 claimed
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
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-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

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 GABBR2 4626/4885GABBR1 4510/4885TNFRSF1A 2548/4885
US-20110190515-A1 SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES, PREPARATION AND USES THEREOF PGF, PTGS1, PTGES3 GABBR2 2053/4885GABBR1 2143/4885TNFRSF1A 4801/4885
US-20100120909-A1 COMPOSITION BASED ON SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES, PREPARATION AND USES THEREOF BRCA1, COL1A1, APOL1 GABBR2 4351/4885GABBR1 4039/4885TNFRSF1A 1796/4885
US-20120129932-A1 COMPOSITION BASED ON SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES, PREPARATION AND USES THEREOF BRCA1, COL1A1, APOL1 GABBR2 4351/4885GABBR1 4039/4885TNFRSF1A 1796/4885
US-20050176808-A1 Substituted 1,3-diphenylprop-2-en-1-one derivatives and preparation and uses thereof PGF, PTGS1, PTGES3 GABBR2 1952/4885GABBR1 2054/4885TNFRSF1A 4795/4885
US-20050171149-A1 Composition based on substituted 1,3-diphenylprop-2-en-1-one derivatives, preparation and uses thereof BRCA1, LOXL1, APOL1 GABBR2 4342/4885GABBR1 4035/4885TNFRSF1A 1920/4885

“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.