SCHEMBL3489402

SCHEMBL3489402

CCCCCCCCCCCCCCC(F)C(=O)C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.62
EPHX1 P07099 1/20 0.48
FAAH O00519 8/20 0.48
CES2 O00748 6/20 0.48
CES1 P23141 5/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GPR84 Q9NQS5 3/20 0.44
FFAR1 O14842 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
SCHEMBL28548689 0.92 MAPT (0.50) MAPTEPHX1FAAHCES2CES1
SCHEMBL29097175 0.83 MAPT (0.39) MAPTEPHX1FAAHCES2CES1
SCHEMBL21567388 0.82 CA2 (0.52) MAPTEPHX1FAAHCES2CES1
SCHEMBL23583802 0.80 CA2 (0.55) MAPTEPHX1FAAHCES2CES1
SCHEMBL10697627 0.78 MAPT (0.55) MAPTEPHX1FAAHCES2CES1
SCHEMBL6265039 0.78 EPHX1 (0.47) MAPTEPHX1FAAHCES2CES1
SCHEMBL337512 0.77 MAPT (1.00) MAPTCES2GPR84FFAR1
SCHEMBL7461276 0.77 MAPT (1.00) MAPTCES2GPR84FFAR1
SCHEMBL21808105 0.77 MAPT (1.00) MAPTCES2GPR84FFAR1
SCHEMBL337289 0.77 MAPT (1.00) MAPTCES2GPR84FFAR1

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-20100048727-A1 PERFLUOROKETONE COMPOUNDS AND USES THEREOF DAVID SAMUEL 2010-02-25 US disclosed
EP-2139836-A1 PERFLUOROKETONE COMPOUNDS AND USES THEREOF The Royal Institution for the Advancement of Learning/McGill University (CA) 2010-01-06 EP disclosed
WO-2008122119-A1 PERFLUOROKETONE COMPOUNDS AND USES THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2008-10-16 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-20100048727-A1 PERFLUOROKETONE COMPOUNDS AND USES THEREOF PLA2G1B, PLA2G4B, PLA2G2E MAPT 3875/4885EPHX1 330/4885FAAH 26/4885

“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.