SCHEMBL1399137

SCHEMBL1399137

CCOC(=O)/C=C/C=C/c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAOB P27338 2/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
NFE2L2 Q16236 2/20 0.44
MAPT P10636 4/20 0.43

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
SCHEMBL1399139 1.00 RAB9A (0.50) RAB9ANPC1ALDH1A1CYP1A2CYP2C19
SCHEMBL1268397 0.89 RAB9A (0.54) RAB9ANPC1ALDH1A1CYP1A2CYP2C19
SCHEMBL31408756 0.89 RAB9A (0.54) RAB9ANPC1ALDH1A1CYP1A2CYP2C19
SCHEMBL1268400 0.89 RAB9A (0.54) RAB9ANPC1ALDH1A1CYP1A2CYP2C19
SCHEMBL5752920 0.85 CA12 (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5752922 0.85 CA12 (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1399158 0.84 SMN1; SMN2 (0.49) RAB9ANPC1ALDH1A1CYP1A2CYP2C19
SCHEMBL1399161 0.84 SMN1; SMN2 (0.49) RAB9ANPC1ALDH1A1CYP1A2CYP2C19
SCHEMBL1205797 0.82 MAPT (0.61) RAB9ANPC1ALDH1A1SMN1; SMN2MAOB
SCHEMBL1399189 0.82 MEN1 (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2MAOB

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 RAB9A 2764/4885NPC1 1189/4885ALDH1A1 1195/4885

“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.