SCHEMBL3970580

SCHEMBL3970580

Cc1cc(C=CC(=O)c2ccccc2OC(F)(F)F)cc(C)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.50
MAOB P27338 3/20 0.49
MAOA P21397 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
HSP90AA1 P07900 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ABCB1 P08183 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2B6 P20813 1/20 0.47
ALOX5 P09917 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45

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
SCHEMBL3970576 1.00 ABCG2 (0.50) ABCG2MAOBMAOAALDH1A1LMNA
SCHEMBL498853 0.84 ABCG2 (0.71) ABCG2MAOBMAOAALDH1A1LMNA
SCHEMBL498852 0.84 ABCG2 (0.71) ABCG2MAOBMAOAALDH1A1LMNA
SCHEMBL13764685 0.84 PPARA (0.63) ABCG2ABCB1
SCHEMBL13764684 0.81 PPARA (0.51) ABCG2MAOBMAOAALDH1A1LMNA
SCHEMBL1320295 0.77 ABCG2 (0.56) ABCG2MAOBMAOAALDH1A1LMNA
SCHEMBL2598006 0.77 MAOB (0.51) MAOB
SCHEMBL2598005 0.77 MAOB (0.51) MAOB
SCHEMBL1320297 0.77 ABCG2 (0.56) ABCG2MAOBMAOAALDH1A1LMNA
SCHEMBL3964830 0.76 LMNA (0.53) ABCG2ALDH1A1LMNAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20070032543-A1 Combinations of substituted 1,3-diphenylprop-2-EN-1-one derivatives with other therapeutically active ingredients PSEN1, BACE1, PSEN2 ABCG2 2957/4885MAOB 2058/4885MAOA 1731/4885

“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.