SCHEMBL816352

SCHEMBL816352

Cc1cccc(N(C(F)(F)F)C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.46
CETP P11597 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.37
HSD17B1 P14061 3/20 0.37
HSD17B2 P37059 3/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
NSD2 O96028 1/20 0.35
CASP3 P42574 1/20 0.35

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
SCHEMBL7871378 0.84 ALDH1A1 (0.32) ALDH1A1MAPK1CYP3A4MAPT
SCHEMBL2399625 0.77 CYP3A4 (0.44) ACHESIGMAR1ALDH1A1MAPK1CYP3A4
SCHEMBL28092078 0.75 ACHE (0.52) ACHESIGMAR1ALDH1A1MAPK1CYP3A4
SCHEMBL6745564 0.74 TSHR (0.48) SIGMAR1ALDH1A1MAPK1CYP3A4MAPT
SCHEMBL27984773 0.74 MAPT (0.52) CETPALDH1A1CYP3A4CYP2C19HTT
SCHEMBL977663 0.74 ACHE (0.58) ACHESIGMAR1ALDH1A1MAPK1CYP3A4
SCHEMBL23977864 0.72 AR (0.41) ACHECETPSIGMAR1ALDH1A1CYP3A4
SCHEMBL29692933 0.72 ACHE (0.55) ACHESIGMAR1ALDH1A1MAPK1CYP3A4
SCHEMBL12879 0.72 ALDH1A1 (0.56) ACHESIGMAR1ALDH1A1MAPK1CYP3A4
SCHEMBL29381010 0.72 ALDH1A1 (0.56) ACHESIGMAR1ALDH1A1MAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067625-B2 Fluorosurfactants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-29 US disclosed
US-8049022-B2 Fluorosurfactants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-01 US disclosed
US-20100152081-A1 Fluorosurfactants MERCK PATENT GMBH (DE) 2010-06-17 US disclosed
US-20090312432-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-12-17 US disclosed
US-20090264525-A1 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2009-10-22 US disclosed
US-4731450-A Process for perfluoroalkylation of aromatic derivatives RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1988-03-15 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 (3 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-20090312432-A1 FLUOROSURFACTANTS SGMS2, FASN, SGMS1 ACHE 4091/4885CETP 132/4885SIGMAR1 512/4885
US-20100152081-A1 Fluorosurfactants CBR3, FPR3, NOX3 ACHE 3673/4885CETP 1859/4885SIGMAR1 347/4885
US-20090264525-A1 FLUOROSURFACTANTS FASN, FFAR3, SGMS2 ACHE 4537/4885CETP 83/4885SIGMAR1 715/4885

“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.