SCHEMBL966841

SCHEMBL966841

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 4/20 0.38
CDK8 P49336 4/20 0.38
MAPT P10636 2/20 0.36
MCL1 Q07820 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HSD17B1 P14061 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B2 P37059 1/20 0.35
SRC P12931 1/20 0.34
TTR P02766 1/20 0.34
DPP4 P27487 1/20 0.34
ABL1 P00519 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 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
SCHEMBL961608 0.93 MCL1 (0.38) CCNCCDK8MAPTMCL1KDM4E
SCHEMBL963541 0.92 CYP1A2 (0.43) CCNCCDK8MAPTKDM4ECYP1A2
SCHEMBL963486 0.92 MCL1 (0.37) CCNCCDK8MAPTMCL1CYP1A2
SCHEMBL966253 0.91 ALDH1A1 (0.42) MAPTMCL1KDM4ETSHRHSD17B10
SCHEMBL966251 0.91 ALDH1A1 (0.42) MAPTMCL1KDM4ETSHRHSD17B10
SCHEMBL962379 0.91 PIM3 (0.39) CCNCCDK8MCL1CYP1A2CYP3A4
SCHEMBL962073 0.90 ACACB (0.36) CCNCCDK8MCL1CYP1A2CYP3A4
SCHEMBL966155 0.90 MEN1 (0.44) MCL1
SCHEMBL967493 0.88 CA12 (0.42) CCNCCDK8CYP1A2CYP3A4CYP2D6
SCHEMBL964594 0.88 CCNC (0.35) CCNCCDK8MCL1CYP1A2CYP3A4

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.