SCHEMBL963543

SCHEMBL963543

CCC(=Cc1c(C)nn(C)c1-n1ccc2ccc(OC)cc21)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.41
MTNR1B P49286 9/20 0.41
ROCK1 Q13464 1/20 0.37
POLB P06746 1/20 0.36
FABP4 P15090 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
CA2 P00918 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
DYRK1A Q13627 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL963542 1.00 MTNR1A (0.41) MTNR1AMTNR1BROCK1POLBFABP4
SCHEMBL966845 0.91 MAPT (0.38) MTNR1AMTNR1BPOLBMCL1ALDH1A1
SCHEMBL966843 0.91 MAPT (0.38) MTNR1AMTNR1BPOLBMCL1ALDH1A1
SCHEMBL962382 0.91 PIM3 (0.41) MTNR1AMTNR1BMCL1
SCHEMBL962381 0.91 PIM3 (0.41) MTNR1AMTNR1BMCL1
SCHEMBL963489 0.90 MET (0.38) MCL1
SCHEMBL963488 0.90 MET (0.38) MCL1
SCHEMBL961611 0.89 MCL1 (0.37) MTNR1AMTNR1BMEN1KMT2AMCL1
SCHEMBL961609 0.89 MCL1 (0.37) MTNR1AMTNR1BMEN1KMT2AMCL1
SCHEMBL966600 0.89 ABL1 (0.37) MTNR1AMTNR1BMCL1

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 MTNR1A 69/4885MTNR1B 91/4885ROCK1 3736/4885

“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.