SCHEMBL961608

SCHEMBL961608

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 9/20 0.38
CCNC P24863 3/20 0.36
CDK8 P49336 3/20 0.36
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD17B1 P14061 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B2 P37059 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
IDE P14735 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
SCHEMBL966841 0.93 CCNC (0.38) MCL1CCNCCDK8KDM4ECYP1A2
SCHEMBL4553457 0.90 ALDH1A1 (0.40) MCL1TDP1KDM4EMEN1KMT2A
SCHEMBL4553461 0.90 ALDH1A1 (0.40) MCL1TDP1KDM4EMEN1KMT2A
SCHEMBL963541 0.89 CYP1A2 (0.43) CCNCCDK8TDP1KDM4ECYP1A2
SCHEMBL963486 0.89 MCL1 (0.37) MCL1CCNCCDK8KMT2ACYP1A2
SCHEMBL962379 0.87 PIM3 (0.39) MCL1CCNCCDK8CYP1A2CYP3A4
SCHEMBL966155 0.87 MEN1 (0.44) MCL1MEN1KMT2ASMN1; SMN2PKM
SCHEMBL962073 0.87 ACACB (0.36) MCL1CCNCCDK8CYP1A2CYP3A4
SCHEMBL967493 0.85 CA12 (0.42) CCNCCDK8CYP1A2CYP3A4CYP2D6
SCHEMBL964594 0.85 CCNC (0.35) MCL1CCNCCDK8CYP1A2CYP3A4

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 MCL1 3693/4885CCNC 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.