SCHEMBL1399161

SCHEMBL1399161

CCOC(=O)C=CC=Cc1c(F)cccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CYP3A4 P08684 1/20 0.43
TTR P02766 1/20 0.42
DPP4 P27487 1/20 0.42
MAPT P10636 5/20 0.41
ALDH1A1 P00352 3/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
KRAS P01116 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.40
MDM2 Q00987 1/20 0.40
NLRP3 Q96P20 1/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL1399158 1.00 SMN1; SMN2 (0.49) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL2555912 0.89 CA12 (0.53) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL1399137 0.84 RAB9A (0.50) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL1399139 0.84 RAB9A (0.50) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL19511315 0.82 ALDH1A1 (0.42) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL19511317 0.82 ALDH1A1 (0.42) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL15826997 0.79 KMT2A (0.55) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL30636948 0.79 MAOB (0.52) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL2200892 0.79 KMT2A (0.55) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL2200893 0.79 KMT2A (0.55) SMN1; SMN2CA12CA1CA2CA7

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 3 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

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 SMN1; SMN2 4562/4885CA12 4358/4885CA1 1961/4885

“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.