SCHEMBL963258

SCHEMBL963258

CCOC(=O)/C=C/c1c(C)nn(C)c1-n1ccc2cnccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.47
CDK8 P49336 5/20 0.47
CDK19 Q9BWU1 1/20 0.39
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
CLK1 P49759 1/20 0.34
UBE2N P61088 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ELANE P08246 1/20 0.33
TGFBR1 P36897 3/20 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
SCHEMBL964749 0.92 CCNC (0.47) CCNCCDK8CDK19NPC1RAB9A
SCHEMBL963203 0.87 PHGDH (0.41) CCNCCDK8NPC1RAB9ACA12
SCHEMBL961622 0.86 ALDH1A1 (0.47) CCNCCDK8NPC1RAB9AALDH1A1
SCHEMBL961623 0.86 ALDH1A1 (0.47) CCNCCDK8NPC1RAB9AALDH1A1
SCHEMBL962733 0.85 CCNC (0.43) CCNCCDK8NPC1RAB9ACA12
SCHEMBL966081 0.83 CCNC (0.42) CCNCCDK8CA12CA1CA2
SCHEMBL962555 0.82 CCNC (0.41) CCNCCDK8NPC1RAB9ACA12
SCHEMBL967493 0.82 CA12 (0.42) CCNCCDK8CDK19NPC1RAB9A
SCHEMBL965361 0.81 CCNC (0.41) CCNCCDK8ALDH1A1HPGDELANE
SCHEMBL963541 0.80 CYP1A2 (0.43) CCNCCDK8CA2ALDH1A1HPGD

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 2477/4885CDK19 4213/4885

“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.