SCHEMBL4140545

SCHEMBL4140545

C=CC(=O)c1c(F)cccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.56
CES1 P23141 4/20 0.56
TDP1 Q9NUW8 3/20 0.53
AKT1 P31749 1/20 0.46
KRAS P01116 1/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
BCHE P06276 1/20 0.40
ALDH5A1 P51649 1/20 0.40
ABAT P80404 1/20 0.40
HTT P42858 2/20 0.39
JAK1 P23458 2/20 0.39
JAK2 O60674 1/20 0.39
TYK2 P29597 1/20 0.39
NOD2 Q9HC29 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
EGFR P00533 1/20 0.38
TP53 P04637 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
SCHEMBL6272157 0.79 CES2 (0.58) CES2CES1TDP1KRASLMNA
SCHEMBL118109 0.76 CES2 (0.58) CES2CES1TDP1AKT1LMNA
SCHEMBL30634467 0.76 CES2 (0.58) CES2CES1TDP1AKT1LMNA
SCHEMBL27558909 0.76 CES2 (0.54) CES2CES1TDP1KRASLMNA
SCHEMBL5141306 0.75 CES2 (0.48) CES2CES1TDP1LMNAMEN1
SCHEMBL14692568 0.75 AKT1 (0.36) CES2CES1TDP1AKT1ALDH5A1
SCHEMBL2033473 0.74 AKT1 (0.48) CES2CES1TDP1AKT1MEN1
SCHEMBL29185422 0.74 CA1 (0.52) TDP1AKT1LMNAMEN1KMT2A
SCHEMBL28617883 0.74 DGAT1 (0.37) TDP1AKT1KRASLMNAMEN1
Propene SCHEMBL27785695 0.74 CES2 (0.52) CES2CES1TDP1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513258-B2 Cinnamoyl-piperazine derivatives and their use as par-1 antagonists PIERRE FABRE MEDICAMENT (FR) 2013-08-20 US disclosed
US-20120232097-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR-1 ANTAGONISTS PEREZ MICHEL (FR) 2012-09-13 US disclosed
US-8217046-B2 Cinnamoyl-piperazine derivatives and their use as PAR-1 antagonists PIERRE FABRE MEDICAMENT (FR) 2012-07-10 US disclosed
US-20090176803-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR-1 ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 2009-07-09 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 (2 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-20090176803-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR-1 ANTAGONISTS F2R, F2RL1, F2RL3 CES2 471/4885CES1 206/4885TDP1 1913/4885
US-20120232097-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR-1 ANTAGONISTS F2R, F2RL1, F2RL3 CES2 471/4885CES1 206/4885TDP1 1913/4885

“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.