SCHEMBL3884433

SCHEMBL3884433

O=C(O)CCc1ccc(OCCc2ccccc2Cl)c(-c2ccc3[nH]ncc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.47
FFAR1 O14842 8/20 0.47
FFAR4 Q5NUL3 6/20 0.47
FABP4 P15090 2/20 0.43
FABP3 P05413 1/20 0.43
FABP5 Q01469 1/20 0.43
ROCK2 O75116 1/20 0.42
PIM1 P11309 1/20 0.42
GSK3B P49841 1/20 0.42
AURKB Q96GD4 1/20 0.42
TP53 P04637 3/20 0.41
MDM2 Q00987 3/20 0.41
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41

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
SCHEMBL3884095 0.90 TRPA1 (0.47) TRPA1FFAR1FFAR4TP53MDM2
SCHEMBL3882711 0.90 FFAR4 (0.47) TRPA1FFAR1FFAR4ROCK2PIM1
SCHEMBL27627114 0.90 FFAR1 (0.46) TRPA1FFAR1FFAR4ROCK2GSK3B
SCHEMBL3884927 0.88 TRPA1 (0.49) TRPA1FFAR1FFAR4
SCHEMBL3885517 0.86 FFAR1 (0.49) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL3883753 0.85 TP53 (0.46) TRPA1FFAR1FFAR4ROCK2GSK3B
SCHEMBL3880673 0.84 CTNNB1 (0.44) TRPA1FFAR1FFAR4TP53MDM2
SCHEMBL3884883 0.84 LTB4R (0.47) TRPA1FFAR4ROCK2PIM1GSK3B
SCHEMBL3885123 0.84 TP53 (0.45) TRPA1FFAR1FFAR4ROCK2PIM1
SCHEMBL3880614 0.84 FFAR4 (0.48) TRPA1FFAR1FFAR4ROCK2PIM1

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 135/4885FFAR1 13/4885FFAR4 115/4885

“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.