SCHEMBL1399072

SCHEMBL1399072

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MASP2 O00187 1/20 0.47
F2 P00734 1/20 0.47
NFE2L2 Q16236 2/20 0.47
TBXAS1 P24557 1/20 0.42
KRAS P01116 1/20 0.41
HDAC3 O15379 1/20 0.41
TNKS O95271 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL1399070 1.00 ABCG2 (0.49) ABCG2ALDH1A1MASP2F2NFE2L2
SCHEMBL1226435 0.86 ABCG2 (0.58) ABCG2ALDH1A1NFE2L2KRASHDAC3
SCHEMBL1226433 0.86 ABCG2 (0.58) ABCG2ALDH1A1NFE2L2KRASHDAC3
SCHEMBL26444949 0.85 ABCG2 (0.46) ABCG2ALDH1A1NFE2L2KRASHDAC3
SCHEMBL26445609 0.80 ABCG2 (0.45) ABCG2NFE2L2KRASLMNAHPGD
SCHEMBL29975804 0.79 NFE2L2 (0.54) ALDH1A1MASP2F2NFE2L2SMN1; SMN2
SCHEMBL1399094 0.79 NFE2L2 (0.54) ALDH1A1MASP2F2NFE2L2SMN1; SMN2
SCHEMBL1399091 0.79 NFE2L2 (0.54) ALDH1A1MASP2F2NFE2L2SMN1; SMN2
SCHEMBL28980467 0.78 MIF (0.38) ALDH1A1MASP2F2TBXAS1HDAC3
SCHEMBL29013527 0.78 MIF (0.38) ALDH1A1MASP2F2TBXAS1HDAC3

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 ABCG2 491/4885ALDH1A1 1195/4885MASP2 113/4885

“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.