SCHEMBL4575343

SCHEMBL4575343

COc1ccc(C(C)(C)CNCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.49
PTPN7 P35236 1/20 0.47
DUSP3 P51452 1/20 0.47
CHRM2 P08172 1/20 0.46
NPC1 O15118 1/20 0.45
EPHX2 P34913 1/20 0.45
RAB9A P51151 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
ACP1 P24666 1/20 0.44

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
SCHEMBL4574739 0.89 LMNA (0.51) MEN1KMT2ALMNAHTTNPSR1
SCHEMBL4575168 0.82 ESR1 (0.50) MEN1KMT2ALMNAHTTALDH1A1
SCHEMBL31137727 0.79 CHRM2 (0.56) MEN1KMT2ALMNAHTTNPSR1
SCHEMBL16072940 0.77 CHRM2 (0.58) LMNAHTTNPSR1SMN1; SMN2CHRM2
SCHEMBL22911473 0.77 MAOB (0.53) MEN1KMT2ALMNARAB9AL3MBTL1
SCHEMBL27312581 0.77 MEN1 (0.55) MEN1KMT2AHTTSMN1; SMN2CHRM2
SCHEMBL28548736 0.77 MAPT (0.64) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL4575452 0.77 PPARA (0.50) EPHX2NR1H4
SCHEMBL10900630 0.76 MEN1 (0.63) MEN1KMT2ARAB9AL3MBTL1
SCHEMBL255255 0.75 CA1 (0.58) MEN1KMT2ARAB9AL3MBTL1TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 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-20050137212-A1 Hppars activators PPARG, PPARA, PPARD MEN1 4576/4885KMT2A 4023/4885LMNA 3670/4885

“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.