SCHEMBL2597970

SCHEMBL2597970

Cc1csc(C(=O)C=Cc2cc(C(C)C)c(O)c(C(C)C)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.44
DAO P14920 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2B6 P20813 2/20 0.40
ALOX5 P09917 1/20 0.38
EGFR P00533 1/20 0.37
GAA P10253 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL499507 0.83 CYP1A2 (0.56) KDRDAOCYP1A2CYP3A4CYP2B6
SCHEMBL21219011 0.83 CYP1A2 (0.56) KDRDAOCYP1A2CYP3A4CYP2B6
SCHEMBL3969834 0.81 KDR (0.40) KDRDAOCYP1A2CYP3A4CYP2D6
SCHEMBL4462266 0.81 KDR (0.45) KDRDAOCYP1A2CYP3A4CYP2B6
SCHEMBL2598085 0.80 KDR (0.44) KDRDAOCYP1A2CYP3A4CYP2B6
SCHEMBL18551815 0.73 MAOA (0.51) KDRDAOCYP1A2CYP2D6ALDH1A1
SCHEMBL6781413 0.73 KDR (0.52) KDRDAOCYP1A2CYP3A4GAA
SCHEMBL4461043 0.72 SNCA (0.52) KDR
SCHEMBL10719264 0.71 EGFR (0.53) CYP1A2CYP3A4CYP2B6ALOX5EGFR
SCHEMBL10719260 0.71 EGFR (0.53) CYP1A2CYP3A4CYP2B6ALOX5EGFR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571843-B1 IMPROVED PREPARATION OF CHALCONE DERIVATIVES GENFIT (FR) 2017-12-27 EP disclosed
US-8765992-B2 Preparation of chalcone derivatives GENFIT (FR) 2014-07-01 US disclosed
US-20130131372-A1 PREPARATION OF CHALCONE DERIVATIVES GENFIT (FR) 2013-05-23 US disclosed
EP-2571843-A1 IMPROVED PREPARATION OF CHALCONE DERIVATIVES Genfit (FR) 2013-03-27 EP disclosed
WO-2011144579-A1 IMPROVED PREPARATION OF CHALCONE DERIVATIVES GENFIT (FR) 2011-11-24 WO 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

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

For each of this compound's patents that has machine-readable text (2 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 KDR 150/4885DAO 3267/4885CYP1A2 1583/4885
US-20130131372-A1 PREPARATION OF CHALCONE DERIVATIVES SULT1E1, HCCS, STS KDR 3435/4885DAO 1670/4885CYP1A2 288/4885

“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.