SCHEMBL3856495

SCHEMBL3856495

C=Cc1cc(F)cc(C=O)c1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.34
ALDH1A1 P00352 1/20 0.33
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL13381269 0.87 ALDH1A1 (0.42) ALDH1A1
SCHEMBL6854243 0.87 ERN1 (0.41) ERN1ALDH1A1NFE2L2
SCHEMBL16951328 0.87 ALDH1A1 (0.42) ALDH1A1NFE2L2
SCHEMBL14899689 0.87 ALDH1A1 (0.42) ALDH1A1
SCHEMBL96269 0.82 ERN1 (0.41) ERN1ALDH1A1NFE2L2
SCHEMBL3068309 0.82 ALDH1A1 (0.42) ALDH1A1NFE2L2
SCHEMBL16439840 0.80 ALDH1A1 (0.36) ALDH1A1
Ammonia Solution, Strong SCHEMBL13735346 0.79 ERN1 (0.39) ERN1ALDH1A1NFE2L2
SCHEMBL16951950 0.76 ALDH1A1 (0.33) ALDH1A1NFE2L2
SCHEMBL31039374 0.76 ALDH1A1 (0.46) ERN1ALDH1A1

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-7576098-B2 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-18 US disclosed
EP-1828152-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA BRISTOL MYERS SQUIBB CO (US) 2008-08-20 EP disclosed
EP-1828152-A2 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA Bristol-Myers Squibb Company (US) 2007-09-05 EP disclosed
US-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 US disclosed
WO-2006062972-A2 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-15 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-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa TFPI, F7, HABP2 ERN1 978/4885ALDH1A1 3937/4885NFE2L2 3891/4885

“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.