SCHEMBL962984

SCHEMBL962984

CC/C(=C\c1c(C)nn(C)c1-n1ccc2cc(C(F)(F)F)cnc21)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.33
NR3C1 P04150 1/20 0.33
AGBL2 Q5U5Z8 1/20 0.33
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
CHRNA7 P36544 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TRPM8 Q7Z2W7 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
SCHEMBL962985 1.00 POLB (0.36) POLBALDH1A1HPGDNR3C1AGBL2
SCHEMBL964974 0.88 IRAK4 (0.34) POLB
SCHEMBL964976 0.88 IRAK4 (0.34) POLB
SCHEMBL966304 0.88 SPR (0.30)
SCHEMBL966305 0.88 SPR (0.30)
SCHEMBL967739 0.86 IRAK4 (0.35) ALDH1A1HPGDNR3C1KDM4E
SCHEMBL967741 0.86 IRAK4 (0.35) ALDH1A1HPGDNR3C1KDM4E
SCHEMBL963447 0.86 ENPP3 (0.37)
SCHEMBL963449 0.86 ENPP3 (0.37)
SCHEMBL965690 0.83 ALDH1A1 (0.42) POLBALDH1A1HPGDNR3C1AGBL2

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 POLB 1580/4885ALDH1A1 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.