SCHEMBL962073

SCHEMBL962073

CCOC(=O)/C=C/c1c(C)nn(C)c1-n1ccc2ccc(OCC3CC3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.36
CCNC P24863 4/20 0.35
CDK8 P49336 4/20 0.35
MTNR1A P48039 2/20 0.34
MAOA P21397 1/20 0.33
MCL1 Q07820 1/20 0.33
SRC P12931 1/20 0.33
KCNH2 Q12809 1/20 0.33
MTNR1B P49286 1/20 0.33
ABL1 P00519 1/20 0.32
CYP2C9 P11712 2/20 0.32
ACACA Q13085 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
HSD17B1 P14061 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B2 P37059 1/20 0.32
P2RX3 P56373 2/20 0.32
CDK19 Q9BWU1 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
SCHEMBL963150 0.91 ALDH1A1 (0.38) ACACBMTNR1AMCL1MTNR1BCYP2C9
SCHEMBL963149 0.91 ALDH1A1 (0.38) ACACBMTNR1AMCL1MTNR1BCYP2C9
SCHEMBL966841 0.90 CCNC (0.38) CCNCCDK8MCL1SRCABL1
SCHEMBL961608 0.87 MCL1 (0.38) CCNCCDK8MCL1CYP2C9CYP1A2
SCHEMBL963541 0.87 CYP1A2 (0.43) CCNCCDK8MTNR1AMTNR1BCYP2C9
SCHEMBL963486 0.86 MCL1 (0.37) CCNCCDK8MCL1CYP2C9CYP1A2
SCHEMBL962379 0.85 PIM3 (0.39) ACACBCCNCCDK8MCL1CYP2C9
SCHEMBL966155 0.85 MEN1 (0.44) MCL1
SCHEMBL962076 0.83 ACACB (0.38) ACACBMTNR1AMCL1MTNR1B
SCHEMBL962075 0.83 ACACB (0.38) ACACBMTNR1AMCL1MTNR1B

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 ACACB 471/4885CCNC 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.