SCHEMBL966027

SCHEMBL966027

CC/C(=C\c1c(COC)nn(C)c1-n1ccc2cc(F)ccc21)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
IDO1 P14902 1/20 0.32
PPARG P37231 1/20 0.32
PLK2 Q9NYY3 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PLK1 P53350 1/20 0.30
MAPT P10636 1/20 0.30
TP53 P04637 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
SCHEMBL966029 1.00 KDM4E (0.35) KDM4EALDH1A1HPGDHSD17B10IDO1
SCHEMBL961860 0.84 PLA2G4A (0.38) KDM4EALDH1A1HPGDHSD17B10IDO1
SCHEMBL961861 0.84 PLA2G4A (0.38) KDM4EALDH1A1HPGDHSD17B10IDO1
SCHEMBL965623 0.83 MAPT (0.34) KDM4EALDH1A1HPGDHSD17B10IDO1
SCHEMBL966154 0.82 KDM4E (0.35) KDM4EALDH1A1HPGDHSD17B10IDO1
SCHEMBL966152 0.82 KDM4E (0.35) KDM4EALDH1A1HPGDHSD17B10IDO1
SCHEMBL966026 0.81 CCNC (0.40) KDM4EALDH1A1HPGDHSD17B10IDO1
SCHEMBL962734 0.76 ROCK1 (0.34) ALDH1A1NPC1RAB9AKMT2ARXFP1
SCHEMBL962735 0.76 ROCK1 (0.34) ALDH1A1NPC1RAB9AKMT2ARXFP1
SCHEMBL963039 0.75 PPARG (0.39) KDM4EALDH1A1HPGDIDO1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US 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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG KDM4E 1776/4885ALDH1A1 821/4885HPGD 378/4885

“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.