SCHEMBL962379

SCHEMBL962379

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 1/20 0.39
CCNC P24863 4/20 0.37
CDK8 P49336 4/20 0.37
PHGDH O43175 1/20 0.34
BRD4 O60885 1/20 0.34
BRPF1 P55201 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HSD17B1 P14061 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B2 P37059 1/20 0.34
PDE4B Q07343 1/20 0.34
TTR P02766 1/20 0.33
DPP4 P27487 1/20 0.33
P2RX3 P56373 2/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL966848 0.92 TDP1 (0.36) PIM3CCNCCDK8PHGDHCYP3A4
SCHEMBL966849 0.92 TDP1 (0.36) PIM3CCNCCDK8PHGDHCYP3A4
SCHEMBL964594 0.92 CCNC (0.35) PIM3CCNCCDK8PHGDHCYP3A4
SCHEMBL966841 0.91 CCNC (0.38) CCNCCDK8CYP3A4CYP1A2CYP2D6
SCHEMBL963541 0.91 CYP1A2 (0.43) CCNCCDK8CYP3A4CYP1A2CYP2D6
SCHEMBL966599 0.90 ABL1 (0.37) PIM3CCNCCDK8PHGDHCYP3A4
SCHEMBL965488 0.89 POLB (0.34) PIM3CCNCCDK8PHGDHCYP3A4
SCHEMBL964067 0.89 PIM3 (0.43) PIM3BRD4BRPF1P2RX3
SCHEMBL964065 0.89 PIM3 (0.43) PIM3BRD4BRPF1P2RX3
SCHEMBL961608 0.87 MCL1 (0.38) CCNCCDK8CYP3A4CYP1A2CYP2D6

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 PIM3 3705/4885CCNC 3591/4885CDK8 2477/4885

“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.