SCHEMBL499222

SCHEMBL499222

CCOC(=O)c1c(C)c(C)c(C(=O)C=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(O)c1OC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 2/20 0.44
GABBR1 Q9UBS5 2/20 0.44
TNFRSF1A P19438 3/20 0.41
ABCB1 P08183 2/20 0.41
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
GPR55 Q9Y2T6 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
NR1I2 O75469 1/20 0.38
HMGCR P04035 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
MAOB P27338 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KRAS P01116 1/20 0.37

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
SCHEMBL1777991 0.93 GABBR2 (0.43) GABBR2GABBR1TNFRSF1AABCB1FNTA
SCHEMBL498776 0.86 GABBR2 (0.51) GABBR2GABBR1TNFRSF1AABCB1GPR55
SCHEMBL3967837 0.86 GABBR2 (0.43) GABBR2GABBR1TNFRSF1AABCB1HMGCR
SCHEMBL6910750 0.74 CYP3A4 (0.61) GABBR2GABBR1TNFRSF1AGPR55NR1I2
SCHEMBL6910749 0.74 CYP3A4 (0.61) GABBR2GABBR1TNFRSF1AGPR55NR1I2
SCHEMBL27904472 0.73 CYP3A4 (0.59) GABBR2GABBR1TNFRSF1AGPR55NR1I2
SCHEMBL1777990 0.73 GABBR2 (0.41) GABBR2GABBR1TNFRSF1AABCB1FNTA
SCHEMBL499497 0.72 ABCB1 (0.46) ABCB1PTGS1PTGS2
SCHEMBL498831 0.72 ABCB1 (0.51) ABCB1KRAS
SCHEMBL499455 0.72 GABBR2 (0.42) GABBR2GABBR1TNFRSF1AFNTAFNTB

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.