SCHEMBL1399094

SCHEMBL1399094

O=C(O)C=CC=Cc1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.54
MAOB P27338 2/20 0.50
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP1B1 Q16678 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
NFKB1 P19838 1/20 0.47
CA4 P22748 1/20 0.47
MAPT P10636 2/20 0.46
RECQL P46063 1/20 0.46
MIF P14174 1/20 0.46
MASP2 O00187 1/20 0.46
F2 P00734 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 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
SCHEMBL29975804 1.00 NFE2L2 (0.54) NFE2L2MAOBCYP1A2CYP2D6CYP1B1
SCHEMBL1399091 1.00 NFE2L2 (0.54) NFE2L2MAOBCYP1A2CYP2D6CYP1B1
SCHEMBL79637 0.86 CA1 (0.62) NFE2L2MAOBCYP1A2CYP2D6CYP1B1
SCHEMBL29365442 0.86 CA1 (0.62) NFE2L2MAOBCYP1A2CYP2D6CYP1B1
SCHEMBL79638 0.86 CA1 (0.62) NFE2L2MAOBCYP1A2CYP2D6CYP1B1
SCHEMBL13004933 0.84 NFKB1 (0.53) NFE2L2MAOBCYP1A2CA1CA2
SCHEMBL17866914 0.84 NFKB1 (0.53) NFE2L2MAOBCYP1A2CA1CA2
SCHEMBL17866912 0.84 NFKB1 (0.53) NFE2L2MAOBCYP1A2CA1CA2
SCHEMBL13004328 0.84 NFKB1 (0.53) NFE2L2MAOBCYP1A2CA1CA2
SCHEMBL1399070 0.79 ABCG2 (0.49) NFE2L2MAOBMAPTMIFMASP2

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
US-8022064-B2 Phenylpentadienoyl derivatives and their use as PAR 1 antagonists PIERRE FABRE MEDICAMENT (FR) 2011-09-20 US disclosed
EP-2046748-B1 PHENYLPENTADIENOYL DERIVATIVES AND THEIR USE AS PAR 1 ANTAGONISTS PF MEDICAMENT (FR) 2011-03-02 EP disclosed
US-20100003260-A1 PHENYLPENTADIENOYL DERIVATIVES AND THEIR USE AS PAR 1 ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 2010-01-07 US disclosed
EP-2046748-A1 PHENYLPENTADIENOYL DERIVATIVES AND THEIR USE AS PAR 1 ANTAGONISTS Pierre Fabre Medicament (FR) 2009-04-15 EP disclosed
WO-2007147822-A1 PHENYLPENTADIENOYL DERIVATIVES AND THEIR USE AS PAR 1 ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 2007-12-27 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-20100003260-A1 PHENYLPENTADIENOYL DERIVATIVES AND THEIR USE AS PAR 1 ANTAGONISTS F2R, F2RL1, FPR1 NFE2L2 1827/4885MAOB 951/4885CYP1A2 294/4885

“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.