SCHEMBL4685132

SCHEMBL4685132

C=C(C)n1nc(-c2ccc(OC(F)(F)F)cc2)cc1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SCN5A Q14524 3/20 0.39
CYP1A2 P05177 2/20 0.39
GCGR P47871 6/20 0.38
F2RL3 Q96RI0 1/20 0.38
KDM5A P29375 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
TRPV3 Q8NET8 1/20 0.36
ACP1 P24666 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
LIPE Q05469 1/20 0.36

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
SCHEMBL4677883 0.89 MAPT (0.41) MAPTMAPK1KDM4EGAAADORA3
SCHEMBL508428 0.82 MAPT (0.45) MAPTMAPK1KDM4EGAAADORA3
SCHEMBL4682118 0.78 MAPT (0.47) MAPTMAPK1KDM4EGAAADORA3
SCHEMBL14445954 0.78 GCGR (0.42) MAPTMAPK1KDM4EGAAADORA3
SCHEMBL2424870 0.77 GCGR (0.42) MAPTMAPK1KDM4EGAAADORA3
SCHEMBL2425237 0.77 GCGR (0.43) MAPTMAPK1KDM4EGAAADORA3
SCHEMBL4677624 0.75 GCGR (0.41) MAPTMAPK1KDM4EGAAADORA3
SCHEMBL2424125 0.74 MAPT (0.44) MAPTMAPK1KDM4EGAAADORA3
SCHEMBL14445949 0.74 GCGR (0.51) MAPTGCGR
SCHEMBL4682127 0.73 GCGR (0.53) MAPTGAARECQLGCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513796-B1 PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORP (US) 2008-02-13 EP disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
US-20050222424-A1 Phenyloxyalkanonic acid derivatives as hppar activators SMITHKLINE BEECHAM CORPORATION 2005-10-06 US disclosed
EP-1513796-A2 PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-16 EP disclosed
WO-2004000785-A2 PHENYLOXYALKANONIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-31 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-20050222424-A1 Phenyloxyalkanonic acid derivatives as hppar activators CEL, HPN, LIPA MAPT 4374/4885MAPK1 1402/4885KDM4E 3317/4885

“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.