SCHEMBL2598085

SCHEMBL2598085

CCc1cc(C=CC(=O)c2cc(C)cs2)cc(CC)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.44
DAO P14920 1/20 0.42
PTPN1 P18031 1/20 0.41
AKR1B10 O60218 1/20 0.40
MMP2 P08253 1/20 0.40
AKR1B1 P15121 1/20 0.40
AKR1C3 P42330 1/20 0.40
PAK1 Q13153 1/20 0.40
CYP3A4 P08684 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2D6 P10635 1/20 0.37
CYP2B6 P20813 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAOA P21397 1/20 0.36

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 0.84 CYP1A2 (0.56) KDRDAOCYP3A4CYP1A2CYP2C9
SCHEMBL21219011 0.84 CYP1A2 (0.56) KDRDAOCYP3A4CYP1A2CYP2C9
SCHEMBL4462266 0.82 KDR (0.45) KDRDAOPTPN1CYP3A4CYP1A2
SCHEMBL2597970 0.80 KDR (0.44) KDRDAOCYP3A4CYP1A2CYP2C9
SCHEMBL4461043 0.76 SNCA (0.52) KDRMAOAMAOB
SCHEMBL6781413 0.74 KDR (0.52) KDRDAOCYP3A4CYP1A2CYP2D6
SCHEMBL18551815 0.74 MAOA (0.51) KDRDAOCYP1A2CYP2D6ALDH1A1
SCHEMBL3974927 0.73 KDR (0.43) KDRDAOCYP3A4ALDH1A1MAPT
SCHEMBL3969210 0.71 APP (0.51) KDRMAOAMAOB
SCHEMBL3969834 0.70 KDR (0.40) KDRDAOCYP3A4CYP1A2CYP2D6

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 5 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

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

For each of this compound's patents that has machine-readable text (1 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-20130131372-A1 PREPARATION OF CHALCONE DERIVATIVES SULT1E1, HCCS, STS KDR 3435/4885DAO 1670/4885PTPN1 2926/4885

“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.