SCHEMBL1399174

SCHEMBL1399174

CCOC(=O)C=CC=Cc1ccccc1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NLRP3 Q96P20 1/20 0.42
MAPT P10636 6/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LMNA P02545 3/20 0.40
MDM2 Q00987 2/20 0.40
TTR P02766 1/20 0.39
DPP4 P27487 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
PLIN1 O60240 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL1399096 1.00 GAA (0.48) GAAALDH1A1L3MBTL1NLRP3MAPT
SCHEMBL5317693 0.90 ALDH1A1 (0.48) GAAALDH1A1L3MBTL1NLRP3MAPT
SCHEMBL8050356 0.90 ALDH1A1 (0.48) GAAALDH1A1L3MBTL1NLRP3MAPT
SCHEMBL10640211 0.85 NFE2L2 (0.41) GAAALDH1A1L3MBTL1MAPTCA12
SCHEMBL10640215 0.85 NFE2L2 (0.41) GAAALDH1A1L3MBTL1MAPTCA12
SCHEMBL5752920 0.81 CA12 (0.46) GAAALDH1A1MAPTCA12CA1
SCHEMBL5752922 0.81 CA12 (0.46) GAAALDH1A1MAPTCA12CA1
SCHEMBL28414558 0.80 CCNC (0.46) GAAALDH1A1L3MBTL1NLRP3MAPT
SCHEMBL28645173 0.80 APP (0.47) GAAALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL28653578 0.80 APP (0.47) GAAALDH1A1L3MBTL1LMNAKDM4E

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 GAA 4460/4885ALDH1A1 1195/4885L3MBTL1 2246/4885

“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.