SCHEMBL498642

SCHEMBL498642

CCOC(=O)c1c(C)cc(C=O)c(OC(C)C)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.47
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 7/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
NPSR1 Q6W5P4 3/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 5/20 0.37
ADORA1 P30542 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE1C Q14123 1/20 0.37
PDE3A Q14432 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
SCHEMBL498855 0.85 CYP3A4 (0.50) CYP3A4USP2SMN1; SMN2TDP1ALDH1A1
SCHEMBL13082721 0.80 ALDH1A1 (0.38) CYP3A4TDP1ALDH1A1KMT2AHPGD
SCHEMBL498886 0.79 ALDH1A1 (0.44) CYP3A4USP2SMN1; SMN2ALDH1A1KMT2A
SCHEMBL10935815 0.77 CYP3A4 (0.51) CYP3A4USP2SMN1; SMN2TDP1ALDH1A1
SCHEMBL11357629 0.77 CYP3A4 (0.51) CYP3A4USP2SMN1; SMN2TDP1ALDH1A1
SCHEMBL499284 0.76 CYP3A4 (0.47) CYP3A4USP2SMN1; SMN2TDP1ALDH1A1
SCHEMBL499283 0.74 TSHR (0.50) CYP3A4USP2SMN1; SMN2TDP1ALDH1A1
SCHEMBL10952043 0.73 CYP3A4 (0.47) CYP3A4USP2SMN1; SMN2TDP1ALDH1A1
SCHEMBL12552811 0.72 CYP3A4 (0.55) CYP3A4USP2SMN1; SMN2TDP1ALDH1A1
SCHEMBL498800 0.72 CYP3A4 (0.50) CYP3A4USP2SMN1; SMN2TDP1ALDH1A1

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 CYP3A4 3088/4885USP2 2081/4885SMN1; SMN2 113/4885
US-20110190515-A1 SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES, PREPARATION AND USES THEREOF PGF, PTGS1, PTGES3 CYP3A4 1539/4885USP2 3460/4885SMN1; SMN2 437/4885
US-20100120909-A1 COMPOSITION BASED ON SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES, PREPARATION AND USES THEREOF BRCA1, COL1A1, APOL1 CYP3A4 3511/4885USP2 3803/4885SMN1; SMN2 1158/4885
US-20120129932-A1 COMPOSITION BASED ON SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES, PREPARATION AND USES THEREOF BRCA1, COL1A1, APOL1 CYP3A4 3511/4885USP2 3803/4885SMN1; SMN2 1158/4885
US-20050176808-A1 Substituted 1,3-diphenylprop-2-en-1-one derivatives and preparation and uses thereof PGF, PTGS1, PTGES3 CYP3A4 1522/4885USP2 3475/4885SMN1; SMN2 435/4885
US-20050171149-A1 Composition based on substituted 1,3-diphenylprop-2-en-1-one derivatives, preparation and uses thereof BRCA1, LOXL1, APOL1 CYP3A4 3581/4885USP2 3737/4885SMN1; SMN2 1195/4885

“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.