SCHEMBL4575623

SCHEMBL4575623

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.50
MAPK1 P28482 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MITF O75030 1/20 0.47
LMNA P02545 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
GPR35 Q9HC97 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
XBP1 P17861 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
VNN1 O95497 1/20 0.46
ANPEP P15144 1/20 0.45
ERAP2 Q6P179 1/20 0.45
GAA P10253 1/20 0.44
SCN8A Q9UQD0 1/20 0.43
CHRM2 P08172 1/20 0.43
GRIN2B Q13224 1/20 0.43

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
SCHEMBL2168241 0.81 BCHE (0.68) BCHEMAPK1NPSR1MITFLMNA
SCHEMBL5970737 0.81 BCHE (0.68) BCHEMAPK1NPSR1MITFLMNA
SCHEMBL8348550 0.75 SCN8A (0.55) BCHELMNAHTTMEN1KMT2A
SCHEMBL4575587 0.75 GAA (0.65) MEN1KMT2AVNN1GAAALDH1A1
SCHEMBL23367774 0.74 ANPEP (0.58) MAPK1NPSR1MITFLMNACNR1
SCHEMBL12204656 0.74 PDE2A (0.51) MAPK1GRIN2BALDH1A1L3MBTL1
SCHEMBL4574739 0.74 LMNA (0.51) NPSR1LMNAHTTMEN1KMT2A
Hydrochloric Acid SCHEMBL6122751 0.74 SCN8A (0.54) BCHELMNASCN8AALDH1A1
SCHEMBL3962793 0.73 SCN8A (0.54) LMNAHTTMEN1KMT2AVNN1
SCHEMBL17238292 0.73 ANPEP (0.56) MAPK1NPSR1MITFLMNACNR1

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 BCHE 2091/4885MAPK1 1209/4885NPSR1 502/4885

“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.