SCHEMBL967738

SCHEMBL967738

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CCNC P24863 3/20 0.37
CDK8 P49336 3/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GPR55 Q9Y2T6 1/20 0.37
NR2F2 P24468 1/20 0.37
HTT P42858 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CDK19 Q9BWU1 1/20 0.34
XPO1 O14980 1/20 0.34
TTR P02766 1/20 0.33
DPP4 P27487 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 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) ALDH1A1HPGDKDM4ECCNCCDK8
SCHEMBL964973 0.89 XPO1 (0.38) ALDH1A1CCNCCDK8MAPTLMNA
SCHEMBL963446 0.89 CCNC (0.37) ALDH1A1HPGDKDM4ECCNCCDK8
SCHEMBL967192 0.87 L3MBTL1 (0.48) ALDH1A1HPGDKDM4ECCNCCDK8
SCHEMBL967190 0.87 L3MBTL1 (0.48) ALDH1A1HPGDKDM4ECCNCCDK8
SCHEMBL962983 0.86 POLB (0.42) ALDH1A1HPGDCCNCCDK8MAPT
SCHEMBL966081 0.85 CCNC (0.42) ALDH1A1HPGDKDM4ECCNCCDK8
SCHEMBL962300 0.83 LMNA (0.38) ALDH1A1CCNCCDK8MAPTLMNA
SCHEMBL968581 0.82 PPARG (0.37) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL968579 0.82 PPARG (0.37) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2

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 ALDH1A1 821/4885HPGD 378/4885KDM4E 1776/4885

“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.