SCHEMBL498886

SCHEMBL498886

CCOC(=O)c1c(OC)cc(C=O)c(OC(C)C)c1OC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 3/20 0.42
MAPK1 P28482 1/20 0.42
ERN1 O75460 3/20 0.41
LMNA P02545 5/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP3A4 P08684 3/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
SLC10A2 Q12908 1/20 0.39
HSD17B2 P37059 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL498642 0.79 CYP3A4 (0.47) ALDH1A1CYP1A2CYP2C19MAPTLMNA
SCHEMBL5236934 0.74 LMNA (0.46) ALDH1A1CYP1A2CYP2C19MAPTERN1
SCHEMBL499284 0.74 CYP3A4 (0.47) ALDH1A1CYP1A2CYP2C19MAPTERN1
SCHEMBL498855 0.74 CYP3A4 (0.50) ALDH1A1CYP1A2CYP2C19MAPTERN1
SCHEMBL30289156 0.71 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C19MAPTMAPK1
SCHEMBL2390691 0.71 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C19MAPTMAPK1
SCHEMBL6230253 0.70 ERN1 (0.46) ALDH1A1CYP1A2CYP2C19MAPTERN1
SCHEMBL499283 0.69 TSHR (0.50) ALDH1A1CYP1A2CYP2C19MAPTMAPK1
SCHEMBL498854 0.69 ALDH1A1 (0.53) ALDH1A1CYP1A2MAPTMAPK1LMNA
SCHEMBL18801124 0.69 CYP3A4 (0.58) ALDH1A1CYP1A2MAPTLMNAL3MBTL1

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 18 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-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
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-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-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 ALDH1A1 355/4885CYP1A2 1583/4885CYP2C19 3937/4885
US-20110190515-A1 SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES, PREPARATION AND USES THEREOF PGF, PTGS1, PTGES3 ALDH1A1 229/4885CYP1A2 1062/4885CYP2C19 1433/4885
US-20100120909-A1 COMPOSITION BASED ON SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES, PREPARATION AND USES THEREOF BRCA1, COL1A1, APOL1 ALDH1A1 380/4885CYP1A2 1330/4885CYP2C19 1272/4885
US-20120129932-A1 COMPOSITION BASED ON SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES, PREPARATION AND USES THEREOF BRCA1, COL1A1, APOL1 ALDH1A1 380/4885CYP1A2 1330/4885CYP2C19 1272/4885
US-20050176808-A1 Substituted 1,3-diphenylprop-2-en-1-one derivatives and preparation and uses thereof PGF, PTGS1, PTGES3 ALDH1A1 231/4885CYP1A2 1038/4885CYP2C19 1488/4885
US-20050171149-A1 Composition based on substituted 1,3-diphenylprop-2-en-1-one derivatives, preparation and uses thereof BRCA1, LOXL1, APOL1 ALDH1A1 518/4885CYP1A2 1532/4885CYP2C19 1280/4885

“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.