SCHEMBL3882183

SCHEMBL3882183

O=C(O)CCc1cc(F)c(OC2Cc3ccccc3C2)c(-c2ccc3[nH]ncc3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 8/20 0.45
FFAR4 Q5NUL3 2/20 0.41
CTNNB1 P35222 2/20 0.39
WNT3A P56704 2/20 0.39
GSK3B P49841 2/20 0.39
CDK5 Q00535 2/20 0.39
DYRK1A Q13627 2/20 0.39
DYRK3 O43781 1/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
CDK5R1 Q15078 1/20 0.39
DYRK2 Q92630 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
FABP4 P15090 1/20 0.38
CDC7 O00311 1/20 0.38

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
SCHEMBL923645 0.89 TRPA1 (0.41) TRPA1FFAR4CTNNB1WNT3AGSK3B
SCHEMBL3881095 0.88 THRA (0.47) TRPA1FFAR4CTNNB1WNT3ACPT2
SCHEMBL3882443 0.87 THRA (0.48) TRPA1FFAR4CTNNB1WNT3ACPT2
SCHEMBL924296 0.87 TRPA1 (0.41) TRPA1CTNNB1WNT3AGSK3BCDK5
SCHEMBL3891742 0.86 TRPA1 (0.38) TRPA1FFAR4CTNNB1WNT3AGSK3B
SCHEMBL3891750 0.86 TRPA1 (0.38) TRPA1FFAR4CTNNB1WNT3AGSK3B
SCHEMBL923766 0.86 TRPA1 (0.39) TRPA1FFAR4CTNNB1WNT3ACPT2
SCHEMBL3882061 0.85 FFAR4 (0.45) TRPA1FFAR4CTNNB1WNT3AGSK3B
SCHEMBL925399 0.85 TRPA1 (0.40) TRPA1FFAR4CTNNB1WNT3ACPT2
SCHEMBL923053 0.84 TRPA1 (0.39) TRPA1FFAR4CTNNB1WNT3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US claimed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP claimed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 US claimed
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP disclosed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US disclosed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP disclosed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 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-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof PTGER1, CYSLTR1, PTGS1 TRPA1 135/4885FFAR4 115/4885CTNNB1 3629/4885

“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.