SCHEMBL963203

SCHEMBL963203

CCOC(=O)/C=C/c1c(C)nn(C)c1-n1ccc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.41
PTPN1 P18031 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CCNC P24863 3/20 0.39
CDK8 P49336 3/20 0.39
MAPT P10636 3/20 0.37
RXFP1 Q9HBX9 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CYP3A4 P08684 1/20 0.35
POLB P06746 1/20 0.35
HCRTR1 O43613 1/20 0.35

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
SCHEMBL962733 0.88 CCNC (0.43) PHGDHRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL967493 0.87 CA12 (0.42) PHGDHRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL964749 0.87 CCNC (0.47) RAB9ANPC1ALDH1A1CCNCCDK8
SCHEMBL963258 0.87 CCNC (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1CCNC
SCHEMBL966081 0.86 CCNC (0.42) SMN1; SMN2ALDH1A1CCNCCDK8MAPT
SCHEMBL962635 0.85 ALDH1A1 (0.50) PHGDHPTPN1RAB9ANPC1SMN1; SMN2
SCHEMBL962637 0.85 ALDH1A1 (0.50) PHGDHPTPN1RAB9ANPC1SMN1; SMN2
SCHEMBL963541 0.85 CYP1A2 (0.43) ALDH1A1CCNCCDK8MAPTCA2
SCHEMBL966841 0.85 CCNC (0.38) CCNCCDK8MAPTCA12CA1
SCHEMBL962555 0.85 CCNC (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1CCNC

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 PHGDH 1142/4885PTPN1 894/4885RAB9A 2322/4885

“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.