SCHEMBL965488

SCHEMBL965488

CCOC(=O)/C=C/c1c(C)nn(C)c1-n1ccc2ccc(OC(C)C(=O)OC(C)(C)C)cc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CCNC P24863 3/20 0.34
CDK8 P49336 3/20 0.34
PHGDH O43175 1/20 0.32
PDE4B Q07343 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HSD17B1 P14061 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B2 P37059 1/20 0.31
PIM3 Q86V86 1/20 0.31
EPAS1 Q99814 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
SCHEMBL4553102 0.91 ALDH1A1 (0.37) SMN1; SMN2PIM3
SCHEMBL4553100 0.91 ALDH1A1 (0.37) SMN1; SMN2PIM3
SCHEMBL966849 0.90 TDP1 (0.36) POLBSMN1; SMN2CCNCCDK8PHGDH
SCHEMBL966848 0.90 TDP1 (0.36) POLBSMN1; SMN2CCNCCDK8PHGDH
SCHEMBL962379 0.89 PIM3 (0.39) POLBCCNCCDK8PHGDHPDE4B
SCHEMBL964594 0.86 CCNC (0.35) POLBSMN1; SMN2CCNCCDK8PHGDH
SCHEMBL963541 0.85 CYP1A2 (0.43) CCNCCDK8PDE4BCYP1A2CYP3A4
SCHEMBL966841 0.85 CCNC (0.38) CCNCCDK8CYP1A2CYP3A4CYP2D6
SCHEMBL966599 0.85 ABL1 (0.37) POLBSMN1; SMN2CCNCCDK8PHGDH
SCHEMBL965490 0.85 PIM3 (0.32) POLBSMN1; SMN2PHGDHPIM3

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 1580/4885SMN1; SMN2 4710/4885CCNC 3591/4885

“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.