SCHEMBL962075

SCHEMBL962075

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.38
MTNR1A P48039 2/20 0.36
PPARG P37231 4/20 0.34
MTNR1B P49286 1/20 0.34
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PSEN1 P49768 1/20 0.33
MCL1 Q07820 3/20 0.32
PDE4A P27815 1/20 0.32
PDE4D Q08499 1/20 0.32
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
KDM5A P29375 1/20 0.31
KDM2B Q8NHM5 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
PDE2A O00408 1/20 0.31

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
SCHEMBL962076 1.00 ACACB (0.38) ACACBMTNR1APPARGMTNR1BPTGES
SCHEMBL966843 0.89 MAPT (0.38) ACACBMTNR1APPARGMTNR1BMCL1
SCHEMBL966845 0.89 MAPT (0.38) ACACBMTNR1APPARGMTNR1BMCL1
SCHEMBL961611 0.87 MCL1 (0.37) MTNR1AMTNR1BMCL1
SCHEMBL961609 0.87 MCL1 (0.37) MTNR1AMTNR1BMCL1
SCHEMBL963542 0.87 MTNR1A (0.41) MTNR1AMTNR1BMCL1
SCHEMBL963543 0.87 MTNR1A (0.41) MTNR1AMTNR1BMCL1
SCHEMBL963489 0.86 MET (0.38) MCL1
SCHEMBL963488 0.86 MET (0.38) MCL1
SCHEMBL966158 0.85 SRD5A2 (0.41) ACACBPPARGMCL1

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 471/4885MTNR1A 69/4885PPARG 3/4885

“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.