SCHEMBL1399255

SCHEMBL1399255

O=CC=Cc1cccc(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.48
CCND1 P24385 5/20 0.48
ERN1 O75460 1/20 0.44
NFE2L2 Q16236 7/20 0.43
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 2/20 0.40
TRPA1 O75762 1/20 0.40
LMNA P02545 1/20 0.40
ALOX5 P09917 1/20 0.40
MAPK1 P28482 1/20 0.40
CCNB2 O95067 2/20 0.40
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
CCNB3 Q8WWL7 2/20 0.40
CES2 O00748 1/20 0.38
BCHE P06276 1/20 0.38
CES1 P23141 1/20 0.38
CHEK1 O14757 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL3720641 1.00 CDK4 (0.48) CDK4CCND1ERN1NFE2L2PTGS2
SCHEMBL1435517 0.83 NFE2L2 (0.65) CDK4CCND1NFE2L2ALDH1A1TRPA1
SCHEMBL1435516 0.83 NFE2L2 (0.65) CDK4CCND1NFE2L2ALDH1A1TRPA1
SCHEMBL29405542 0.83 NFE2L2 (0.65) CDK4CCND1NFE2L2ALDH1A1TRPA1
SCHEMBL21980741 0.81 CDK4 (0.41) CDK4CCND1ERN1NFE2L2ALDH1A1
SCHEMBL21676193 0.81 CDK4 (0.41) CDK4CCND1ERN1NFE2L2ALDH1A1
SCHEMBL18345581 0.80 CDK4 (0.46) CDK4CCND1ERN1ALDH1A1TRPA1
SCHEMBL18345584 0.80 CDK4 (0.46) CDK4CCND1ERN1ALDH1A1TRPA1
SCHEMBL16934076 0.79 NFE2L2 (0.43) CDK4CCND1ERN1NFE2L2PTGS2
SCHEMBL16934071 0.79 NFE2L2 (0.43) CDK4CCND1ERN1NFE2L2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313837-B1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2020-09-09 EP disclosed
US-10570129-B2 Carboline antiparasitics ZOETIS SERVICES LLC (US) 2020-02-25 US disclosed
US-20200031822-A1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2020-01-30 US disclosed
EP-3313837-A1 CARBOLINE ANTIPARASITICS Zoetis Services LLC (US) 2018-05-02 EP disclosed
WO-2016209635-A1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2016-12-29 WO disclosed
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 (3 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 CDK4 1018/4885CCND1 1065/4885ERN1 3022/4885
US-10570129-B2 Carboline antiparasitics ADRA1D, DRD1, CHRM1 CDK4 2099/4885CCND1 116/4885ERN1 2104/4885
US-20200031822-A1 CARBOLINE ANTIPARASITICS DRD1, ADRA1D, DRD2 CDK4 1915/4885CCND1 34/4885ERN1 1447/4885

“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.