SCHEMBL2116715

SCHEMBL2116715

CCC(C)OP(=O)(O)c1ccc2cc(-c3ccc[nH]3)cc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
FDPS P14324 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31
DHODH Q02127 1/20 0.30

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
SCHEMBL2118877 0.87 ITK (0.33) PPARGPPARAFDPSDHODH
SCHEMBL2117646 0.86 PPARG (0.32) PPARGPPARAFDPSDHODH
SCHEMBL2116390 0.84 PIK3CA (0.35) PPARGPPARAFDPSDHODH
SCHEMBL2116835 0.83 PIM1 (0.34)
SCHEMBL2116914 0.83 PPARG (0.37) PPARGPPARAFDPSDHODH
SCHEMBL2116296 0.83 PSMB5 (0.33) PPARGPPARAFDPSDHODH
SCHEMBL2115844 0.83 FDPS (0.34) PPARGPPARAFDPSDHODH
SCHEMBL2117123 0.83 FDPS (0.38) PPARGPPARAFDPSDHODH
SCHEMBL2116713 0.82 KDM4E (0.37) PPARGPPARAFDPSFNTAFNTB
SCHEMBL2118431 0.81 GRM2 (0.35) PPARGPPARAFDPS

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-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 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-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE FDPS, GGPS1, CTPS1 PPARG 1752/4885PPARA 2484/4885FDPS 1/4885

“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.