SCHEMBL3679974

SCHEMBL3679974

CCCCC/C=C/C/C=C/CCCCCCCC(=O)C(F)(F)F

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 0.90
ALDH1A1 P00352 5/20 0.90
PLA2G4B P0C869 1/20 0.90
MAPT P10636 1/20 0.90
PLA2G4A P47712 1/20 0.90
BLM P54132 1/20 0.90
MGLL Q99685 1/20 0.90
PLA2G4C Q9UP65 1/20 0.90
CES1 P23141 7/20 0.90
CES2 O00748 2/20 0.70
HSD17B10 Q99714 2/20 0.70
MEN1 O00255 1/20 0.70
CYP1A2 P05177 1/20 0.70
KMT2A Q03164 1/20 0.70
F7 P08709 3/20 0.65
F3 P13726 3/20 0.65
PPARG P37231 2/20 0.65
PPARD Q03181 2/20 0.65
PPARA Q07869 2/20 0.65
DUSP3 P51452 1/20 0.65

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
SCHEMBL3679976 1.00 FAAH (0.90) FAAHALDH1A1PLA2G4BMAPTPLA2G4A
SCHEMBL22195368 0.98 FAAH (0.88) FAAHALDH1A1PLA2G4BMAPTPLA2G4A
SCHEMBL459980 0.98 FAAH (0.93) FAAHALDH1A1PLA2G4BMAPTPLA2G4A
SCHEMBL459981 0.98 FAAH (0.93) FAAHALDH1A1PLA2G4BMAPTPLA2G4A
Arachidonyl Trifluoromethylketone SCHEMBL9880640 0.95 FAAH (1.00) FAAHALDH1A1PLA2G4BMAPTPLA2G4A
Arachidonyl Trifluoromethylketone SCHEMBL30426991 0.95 FAAH (1.00) FAAHALDH1A1PLA2G4BMAPTPLA2G4A
SCHEMBL24938531 0.95 FAAH (1.00) FAAHALDH1A1PLA2G4BMAPTPLA2G4A
SCHEMBL8059738 0.95 FAAH (1.00) FAAHALDH1A1PLA2G4BMAPTPLA2G4A
SCHEMBL24938529 0.95 FAAH (1.00) FAAHALDH1A1PLA2G4BMAPTPLA2G4A
SCHEMBL4085373 0.95 FAAH (1.00) FAAHALDH1A1PLA2G4BMAPTPLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US disclosed
US-7470807-B2 Suppress production of both prostaglandins and leukotrienes and have reduced side effects; treatment of various inflammatory diseases, autoimmune diseases, allergic diseases, pain and fibrosis; for example, methyl 3-[3-acetylamino-4-cyclopentyloxy-5-(naphthalen-2-yl)phenyl]propionate ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-30 US disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 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-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 FAAH 102/4885ALDH1A1 996/4885PLA2G4B 526/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 FAAH 102/4885ALDH1A1 996/4885PLA2G4B 526/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 FAAH 102/4885ALDH1A1 996/4885PLA2G4B 526/4885

“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.