SCHEMBL2117296

SCHEMBL2117296

COCc1ccc2c(c1)CCC(C=O)=C2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.35
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
PTGS2 P35354 2/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
NAMPT P43490 1/20 0.32
CYP19A1 P11511 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL19583404 0.80 CYP4F2 (0.32) ERN1
SCHEMBL346730 0.78 CYP11B2 (0.54) ERN1CYP11B1CYP11B2PTGS2LMNA
SCHEMBL19600976 0.74 MIF (0.40) CYP19A1
SCHEMBL29720433 0.74 MIF (0.40) CYP19A1
SCHEMBL9165973 0.72 MAOA (0.51) CA2
SCHEMBL10071548 0.71 RXRB (0.41) PTGS2LMNATP53NAMPTCA2
SCHEMBL9220414 0.71 S1PR1 (0.40) CYP11B1CYP11B2CA2
SCHEMBL1589975 0.70 ALDH1A1 (0.44) PTGS2
SCHEMBL19583406 0.69 ADRA1A (0.32)
SCHEMBL1868779 0.68 S1PR1 (0.45)

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-20120094943-A1 ALPHA 7 NICOTINIC RECEPTOR SELECTIVE LIGANDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-04-19 US disclosed
EP-1891036-A1 ALPHA 7 NICOTINIC RECEPTOR SELECTIVE LIGANDS University of Florida Research Foundation, Inc. (US) 2008-02-27 EP disclosed
WO-2006133303-A1 ALPHA 7 NICOTINIC RECEPTOR SELECTIVE LIGANDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2006-12-14 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-20120094943-A1 ALPHA 7 NICOTINIC RECEPTOR SELECTIVE LIGANDS CHRNA7, CHRNA10, CHRNA5 ERN1 3898/4885CYP11B1 1648/4885CYP11B2 2180/4885

“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.