SCHEMBL814816

SCHEMBL814816

CCOC(=O)C(C)(C)Oc1c(OC)cc(C=O)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 9/20 0.45
ALDH1A1 P00352 5/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP3A4 P08684 2/20 0.43
ABCB11 O95342 1/20 0.43
TSHR P16473 1/20 0.43
HTR2A P28223 1/20 0.43
PMP22 Q01453 1/20 0.43
PPARA Q07869 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CNR2 P34972 2/20 0.41
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40
MAOB P27338 1/20 0.39
TRIM24 O15164 1/20 0.39

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
SCHEMBL5479986 0.93 FBP1 (0.46) FBP1ALDH1A1CYP1A2CYP2C19MAPK1
SCHEMBL5479439 0.91 FBP1 (0.42) FBP1ALDH1A1CYP1A2CYP2C19MAPK1
SCHEMBL814693 0.84 FBP1 (0.49) FBP1CYP1A2CYP3A4ABCB11TSHR
SCHEMBL5605607 0.84 ALDH1A1 (0.56) FBP1ALDH1A1TSHRPOLBTRIM24
SCHEMBL29238993 0.84 ALDH1A1 (0.54) FBP1ALDH1A1TSHRPOLBTRIM24
SCHEMBL2964422 0.81 PPARA (0.50) FBP1ALDH1A1CYP1A2CYP3A4ABCB11
SCHEMBL5480699 0.80 FBP1 (0.46) FBP1CYP1A2CYP3A4ABCB11TSHR
SCHEMBL14414930 0.78 ALDH1A1 (0.40) ALDH1A1MAPK1TSHRPPARAKMT2A
SCHEMBL20150483 0.77 FBP1 (0.51) FBP1ALDH1A1CYP1A2CYP2C19CYP3A4
SCHEMBL29528786 0.77 FBP1 (0.51) FBP1ALDH1A1CYP1A2CYP2C19CYP3A4

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 20 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 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-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-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-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-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-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-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-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
EP-1525177-B1 SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-06-27 EP disclosed
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 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 FBP1 314/4885ALDH1A1 355/4885CYP1A2 1583/4885
US-20110190515-A1 SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES, PREPARATION AND USES THEREOF PGF, PTGS1, PTGES3 FBP1 521/4885ALDH1A1 229/4885CYP1A2 1062/4885
US-20100120909-A1 COMPOSITION BASED ON SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES, PREPARATION AND USES THEREOF BRCA1, COL1A1, APOL1 FBP1 1127/4885ALDH1A1 380/4885CYP1A2 1330/4885
US-20120129932-A1 COMPOSITION BASED ON SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES, PREPARATION AND USES THEREOF BRCA1, COL1A1, APOL1 FBP1 1127/4885ALDH1A1 380/4885CYP1A2 1330/4885

“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.