SCHEMBL4464508

SCHEMBL4464508

COc1ccc(C(=O)C=Cc2cc(C)c(O)c(C)c2)cc1F

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 1/20 0.58
ABCG2 Q9UNQ0 3/20 0.57
NPC1 O15118 1/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
ALDH1A1 P00352 1/20 0.54
KRAS P01116 1/20 0.54
ATM Q13315 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ABCB1 P08183 1/20 0.53
TNFRSF1A P19438 1/20 0.53

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
SCHEMBL4464504 1.00 TUBB1 (0.58) TUBB1ABCG2NPC1LMNAGAA
SCHEMBL4462141 0.88 ABCG2 (0.61) ABCG2NPC1LMNAGAAMAPT
SCHEMBL4462137 0.88 ABCG2 (0.61) ABCG2NPC1LMNAGAAMAPT
SCHEMBL4467307 0.84 ABCG2 (0.53) ABCG2NPC1LMNAGAAMAPT
SCHEMBL4467303 0.84 ABCG2 (0.53) ABCG2NPC1LMNAGAAMAPT
SCHEMBL4461547 0.82 PPARA (0.64) TUBB1ABCG2ALDH1A1KRASATM
SCHEMBL11893118 0.82 PPARA (0.64) TUBB1ABCG2ALDH1A1KRASATM
SCHEMBL3970547 0.80 F3 (0.69) MAPTALDH1A1KRASMEN1KMT2A
SCHEMBL3970548 0.80 F3 (0.69) MAPTALDH1A1KRASMEN1KMT2A
SCHEMBL9806815 0.79 LMNA (0.61) TUBB1ABCG2NPC1LMNAMAPT

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 10 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
JP-2007517841-A 2007-07-05 JP claimed
EP-1701938-A1 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVE COMPOUNDS, PREPARATION METHOD THEREOF AND USES OF SAME Genfit (FR) 2006-09-20 EP claimed
WO-2005073184-A1 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVE COMPOUNDS, PREPARATION METHOD THEREOF AND USES OF SAME GENFIT (FR) 2005-08-11 WO claimed
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 disclosed
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
EP-1701938-A1 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVE COMPOUNDS, PREPARATION METHOD THEREOF AND USES OF SAME Genfit (FR) 2006-09-20 EP disclosed
WO-2005073184-A1 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVE COMPOUNDS, PREPARATION METHOD THEREOF AND USES OF SAME GENFIT (FR) 2005-08-11 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-20080058412-A1 1,3-Diphenylprop-2-En-1-One Derivative Compounds, Preparation Method Thereof and Uses of Same TYR, DHPS, DDT TUBB1 2665/4885ABCG2 2092/4885NPC1 472/4885

“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.