SCHEMBL964752

SCHEMBL964752

CCC(=Cc1c(C)nn(C)c1-n1ccc2ccncc21)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.38
TBXAS1 P24557 2/20 0.36
CYP19A1 P11511 2/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
CDC7 O00311 1/20 0.33
CDK2 P24941 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
SCHEMBL964750 1.00 MAPT (0.38) MAPTTBXAS1CYP19A1RAPGEF4CDC7
SCHEMBL963262 0.92 TBXAS1 (0.36) TBXAS1RAPGEF4CDC7CDK2
SCHEMBL963260 0.92 TBXAS1 (0.36) TBXAS1RAPGEF4CDC7CDK2
SCHEMBL963207 0.86 PHGDH (0.36) MAPTTBXAS1
SCHEMBL963205 0.86 PHGDH (0.36) MAPTTBXAS1
SCHEMBL964446 0.84 CDC7 (0.34) CDC7CDK2
SCHEMBL967494 0.84 CDC7 (0.34) CDC7CDK2
SCHEMBL962734 0.82 ROCK1 (0.34) MAPTRAPGEF4
SCHEMBL962735 0.82 ROCK1 (0.34) MAPTRAPGEF4
SCHEMBL962556 0.82 HTR2A (0.32)

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 MAPT 4720/4885TBXAS1 1574/4885CYP19A1 355/4885

“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.