SCHEMBL966152

SCHEMBL966152

CC/C(=C\c1c(C2CC2)nn(C)c1-n1ccc2cc(F)ccc21)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 18)

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
PLK2 Q9NYY3 2/20 0.35
PLK1 P53350 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
KCNH2 Q12809 1/20 0.33
TFPI2 P48307 1/20 0.33
LMNA P02545 1/20 0.32
NPY5R Q15761 1/20 0.31
IDO1 P14902 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
HPGDS O60760 1/20 0.30
THRB P10828 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
SCHEMBL966154 1.00 KDM4E (0.35) KDM4EALDH1A1HPGDHSD17B10PLK2
SCHEMBL963821 0.83 PLA2G4A (0.39) KDM4EALDH1A1HPGDHSD17B10PLK2
SCHEMBL963819 0.83 PLA2G4A (0.39) KDM4EALDH1A1HPGDHSD17B10PLK2
SCHEMBL962383 0.82 PLK2 (0.36) KDM4EALDH1A1HPGDHSD17B10PLK2
SCHEMBL966029 0.82 KDM4E (0.35) KDM4EALDH1A1HPGDHSD17B10PLK2
SCHEMBL966027 0.82 KDM4E (0.35) KDM4EALDH1A1HPGDHSD17B10PLK2
SCHEMBL966150 0.80 CCNC (0.39) KDM4EALDH1A1HPGDHSD17B10PLK2
SCHEMBL962789 0.79 MTNR1A (0.34) LMNA
SCHEMBL962781 0.79 MTNR1A (0.34) LMNA
SCHEMBL962734 0.78 ROCK1 (0.34) ALDH1A1TFPI2LMNATHRB

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.