SCHEMBL4465731

SCHEMBL4465731

COc1c(F)c(C(=O)OC(C)(C)C)c(C)c(C)c1C=CC(=O)c1cc(C)cs1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.36
TNFRSF1A P19438 3/20 0.35
KRAS P01116 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
CASP7 P55210 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DAO P14920 1/20 0.32
GRM6 O15303 1/20 0.30
CISD2 Q8N5K1 1/20 0.30

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
SCHEMBL4471372 0.87 DAO (0.41) KDRTNFRSF1AKRASKDM4EMEN1
SCHEMBL3972915 0.78 DAO (0.38) KDRTNFRSF1AKRASKDM4EMEN1
SCHEMBL5292745 0.68 DAO (0.55) KDRALDH1A1DAOGRM6CISD2
SCHEMBL498782 0.68 KDR (0.46) KDRTNFRSF1AKDM4EMEN1ALDH1A1
SCHEMBL29214715 0.63 CYP1A1 (0.51)
SCHEMBL29221645 0.63 MAOB (0.42) TNFRSF1AKRASMEN1ALDH1A1MAPT
SCHEMBL34472161 0.62 ERN1 (0.34) KRASKDM4EALDH1A1TDP1GRM6
SCHEMBL34472897 0.61 MTNR1A (0.33) KRASKDM4EALDH1A1MAPTHPGD
SCHEMBL29214712 0.61 PPARG (0.47) KDM4EMEN1ALDH1A1CYP3A4MAPT
SCHEMBL34473474 0.61 HSD17B10 (0.36) KDM4EALDH1A1MAPTHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1701938-B1 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVE COMPOUNDS, PREPARATION METHOD THEREOF AND USES OF SAME GENFIT (FR) 2012-07-25 EP claimed
US-20080058412-A1 1,3-Diphenylprop-2-En-1-One Derivative Compounds, Preparation Method Thereof and Uses of Same GENFIT (FR) 2008-03-06 US claimed
US-7547729-B2 1,3-diphenylprop-2-en-1-one derivative compounds, preparation method thereof and uses of same GENFIT (FR) 2009-06-16 US disclosed
US-20080058412-A1 1,3-Diphenylprop-2-En-1-One Derivative Compounds, Preparation Method Thereof and Uses of Same GENFIT (FR) 2008-03-06 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 (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-20080058412-A1 1,3-Diphenylprop-2-En-1-One Derivative Compounds, Preparation Method Thereof and Uses of Same TYR, DHPS, DDT KDR 4160/4885TNFRSF1A 4811/4885KRAS 4311/4885

“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.