SCHEMBL2116914

SCHEMBL2116914

CCC(C)OP(=O)(O)c1ccc2cccc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.37
PPARA Q07869 5/20 0.37
MCHR1 Q99705 1/20 0.35
DHODH Q02127 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALOX5 P09917 1/20 0.34
FDPS P14324 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
ACP3 P15309 1/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL2115844 0.89 FDPS (0.34) PPARGPPARADHODHKDM4EALOX5
SCHEMBL2117123 0.89 FDPS (0.38) PPARGPPARAMCHR1DHODHKDM4E
SCHEMBL2115926 0.85 MAPT (0.38) KDM4EALOX5FDPSLMNAHPGD
SCHEMBL2116390 0.85 PIK3CA (0.35) PPARGPPARADHODHFDPSLMNA
SCHEMBL2116296 0.83 PSMB5 (0.33) PPARGPPARADHODHKDM4EFDPS
SCHEMBL2117646 0.83 PPARG (0.32) PPARGPPARADHODHFDPS
SCHEMBL2116715 0.83 PPARG (0.33) PPARGPPARADHODHFDPS
SCHEMBL2118877 0.82 ITK (0.33) PPARGPPARADHODHKDM4EFDPS
SCHEMBL2116250 0.82 PPARG (0.35) PPARGPPARAMCHR1DHODHKDM4E
SCHEMBL2119073 0.81 CNR1 (0.32) 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 3 patents. 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
EP-2250152-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE Novartis AG (CH) 2010-11-17 EP disclosed
WO-2009106586-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2009-09-03 WO 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 2484/4885MCHR1 4631/4885

“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.