SCHEMBL964973

SCHEMBL964973

CCOC(=O)/C=C/c1c(C)nn(C)c1-n1ccc2cc(F)cnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 2/20 0.38
CCNC P24863 2/20 0.37
CDK8 P49336 2/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
EPAS1 Q99814 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 4/20 0.34
MEN1 O00255 1/20 0.34
STAT3 P40763 1/20 0.34
STAT1 P42224 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TTR P02766 1/20 0.33
DPP4 P27487 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL966303 0.90 CCNC (0.38) CCNCCDK8LMNAPOLBSMN1; SMN2
SCHEMBL967738 0.89 ALDH1A1 (0.41) XPO1CCNCCDK8LMNASMN1; SMN2
SCHEMBL963446 0.89 CCNC (0.37) CCNCCDK8SMN1; SMN2NPC1RAB9A
SCHEMBL962983 0.88 POLB (0.42) CCNCCDK8LMNAPOLBSMN1; SMN2
SCHEMBL966850 0.87 ALDH1A1 (0.44) CCNCCDK8IDO1TDO2SMN1; SMN2
SCHEMBL966851 0.87 ALDH1A1 (0.44) CCNCCDK8IDO1TDO2SMN1; SMN2
SCHEMBL962300 0.83 LMNA (0.38) CCNCCDK8LMNASMN1; SMN2MAPT
SCHEMBL962555 0.82 CCNC (0.41) XPO1CCNCCDK8IDO1TDO2
SCHEMBL966311 0.81 SMN1; SMN2 (0.33) SMN1; SMN2IRAK4
SCHEMBL965643 0.80 PPARG (0.40) IRAK4

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 XPO1 4680/4885CCNC 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.