SCHEMBL962733

SCHEMBL962733

CCOC(=O)/C=C/c1c(C)nn(C)c1-n1ccc2cc(C)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.43
CDK8 P49336 2/20 0.43
MAPT P10636 4/20 0.37
LMNA P02545 2/20 0.36
TTR P02766 1/20 0.36
DPP4 P27487 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CYP3A4 P08684 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 2/20 0.34
ROCK1 Q13464 1/20 0.34
CNKSR1 Q969H4 1/20 0.33
MAOB P27338 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
SCHEMBL966081 0.90 CCNC (0.42) CCNCCDK8MAPTLMNATTR
SCHEMBL963203 0.88 PHGDH (0.41) CCNCCDK8MAPTTTRDPP4
SCHEMBL965361 0.88 CCNC (0.41) CCNCCDK8MAPTTTRDPP4
SCHEMBL962555 0.87 CCNC (0.41) CCNCCDK8MAPTTTRDPP4
SCHEMBL962255 0.86 ALDH1A1 (0.48) CCNCCDK8MAPTLMNASMN1; SMN2
SCHEMBL962254 0.86 ALDH1A1 (0.48) CCNCCDK8MAPTLMNASMN1; SMN2
SCHEMBL963258 0.85 CCNC (0.47) CCNCCDK8TTRDPP4CA12
SCHEMBL967493 0.85 CA12 (0.42) CCNCCDK8TTRDPP4CA12
SCHEMBL966303 0.84 CCNC (0.38) CCNCCDK8MAPTLMNATTR
SCHEMBL963541 0.83 CYP1A2 (0.43) CCNCCDK8MAPTCA2CYP3A4

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 CCNC 3591/4885CDK8 2477/4885MAPT 4720/4885

“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.