SCHEMBL316466

SCHEMBL316466

COc1ccc2c(c1)CCC(C=O)=C2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 2/20 0.48
MIF P14174 3/20 0.48
MEN1 O00255 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.47
CYP19A1 P11511 7/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
CYP11B2 P19099 4/20 0.46
CYP17A1 P05093 1/20 0.45
MAPK1 P28482 1/20 0.45
GLA P06280 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MPO P05164 1/20 0.44

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
SCHEMBL2612390 0.84 CYP19A1 (0.46) CYP26A1MIFMEN1NPC1RAB9A
SCHEMBL448275 0.83 MIF (0.47) CYP26A1MIFNPC1RAB9AKDM4E
SCHEMBL29582798 0.83 MIF (0.47) CYP26A1MIFNPC1RAB9AKDM4E
SCHEMBL10470879 0.81 MIF (0.48) CYP26A1MIFMEN1NPC1RAB9A
SCHEMBL19432985 0.80 DRD2 (0.39) CYP26A1MIF
SCHEMBL450942 0.78 MAOB (0.56) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL453375 0.78 MIF (0.47) CYP26A1MIFCYP19A1
SCHEMBL17108416 0.77 MPO (0.59) CYP26A1MIFRAB9AKDM4ECYP19A1
SCHEMBL10470453 0.76 PTAFR (0.51) CYP26A1MIFMEN1NPC1RAB9A
SCHEMBL5753917 0.76 CYP19A1 (0.48) CYP26A1MIFKDM4ECYP19A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592458-B2 Alpha7 nicotinic receptor selective ligands UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-11-26 US disclosed
US-20120094943-A1 ALPHA 7 NICOTINIC RECEPTOR SELECTIVE LIGANDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-04-19 US disclosed
US-8093269-B2 Alpha 7 nicotinic receptor selective ligands UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2012-01-10 US disclosed
US-20090215705-A1 Alpha 7 Nicotinic Receptor Selective Ligands UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-08-27 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 (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-20090215705-A1 Alpha 7 Nicotinic Receptor Selective Ligands CHRNA7, CHRNA10, CHRNA5 CYP26A1 2172/4885MIF 3096/4885MEN1 3799/4885
US-20120094943-A1 ALPHA 7 NICOTINIC RECEPTOR SELECTIVE LIGANDS CHRNA7, CHRNA10, CHRNA5 CYP26A1 2172/4885MIF 3096/4885MEN1 3799/4885

“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.