SCHEMBL962983

SCHEMBL962983

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.37
RECQL P46063 1/20 0.37
CCNC P24863 2/20 0.36
CDK8 P49336 2/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 2/20 0.33
MLYCD O95822 1/20 0.33
APEX1 P27695 1/20 0.33
APOBEC3A P31941 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33

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
SCHEMBL964973 0.88 XPO1 (0.38) POLBALDH1A1SMN1; SMN2CCNCCDK8
SCHEMBL965692 0.88 ALDH1A1 (0.42) POLBALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL965690 0.88 ALDH1A1 (0.42) POLBALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL966303 0.88 CCNC (0.38) POLBALDH1A1HPGDSMN1; SMN2CCNC
SCHEMBL967738 0.86 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2CCNCCDK8
SCHEMBL963446 0.86 CCNC (0.37) ALDH1A1HPGDSMN1; SMN2CCNCCDK8
SCHEMBL962199 0.83 PPARG (0.39) POLBALDH1A1HPGDNR3C1
SCHEMBL962197 0.83 PPARG (0.39) POLBALDH1A1HPGDNR3C1
SCHEMBL964538 0.82 PPARG (0.43) POLB
SCHEMBL964540 0.82 PPARG (0.43) POLB

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.