SCHEMBL2116250

SCHEMBL2116250

CCC(C)OP(=O)(O)Cc1ccc2cccc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.35
PPARA Q07869 5/20 0.35
ACP3 P15309 1/20 0.34
MCHR1 Q99705 1/20 0.34
DHODH Q02127 1/20 0.33
FDPS P14324 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALOX5 P09917 1/20 0.33
PARP1 P09874 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
CYSLTR1 Q9Y271 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
SCHEMBL2116264 0.89 PPARG (0.34) PPARGPPARAMCHR1DHODHFDPS
SCHEMBL2116914 0.82 PPARG (0.37) PPARGPPARAACP3MCHR1DHODH
SCHEMBL2116381 0.82 PPARG (0.34) PPARGPPARAMCHR1DHODHFDPS
SCHEMBL2120455 0.81 FDPS (0.38) PPARGPPARADHODHFDPSALDH1A1
SCHEMBL2118355 0.80 PGK1 (0.51) ACP3PARP1
SCHEMBL2116634 0.78 NPC1 (0.34) PPARGPPARAMCHR1DHODHKDM4E
SCHEMBL2116246 0.77 KDM4E (0.43) FDPSKDM4EPARP1ALDH1A1GLA
SCHEMBL27822129 0.75 KDM4E (0.36) PPARGPPARAFDPSKDM4EPARP1
SCHEMBL915513 0.73 HSD17B10 (0.45) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL2116735 0.73 KDM4E (0.40) FDPSKDM4EALDH1A1GLAGAA

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 2484/4885ACP3 556/4885

“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.