SCHEMBL3884095

SCHEMBL3884095

Cc1ccccc1CCOc1ccc(CCC(=O)O)cc1-c1ccc2[nH]ncc2c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.47
FFAR1 O14842 8/20 0.43
NPC1 O15118 1/20 0.42
FFAR4 Q5NUL3 9/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
TGFBR1 P36897 1/20 0.40
TP53 P04637 2/20 0.40
MDM2 Q00987 2/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL3884433 0.90 TRPA1 (0.47) TRPA1FFAR1FFAR4TP53MDM2
SCHEMBL3882711 0.90 FFAR4 (0.47) TRPA1FFAR1FFAR4TP53MDM2
SCHEMBL27627114 0.89 FFAR1 (0.46) TRPA1FFAR1FFAR4TP53MDM2
SCHEMBL3880673 0.87 CTNNB1 (0.44) TRPA1FFAR1FFAR4TP53MDM2
SCHEMBL3884927 0.87 TRPA1 (0.49) TRPA1FFAR1FFAR4
SCHEMBL3883581 0.86 FFAR1 (0.45) FFAR1FFAR4THRATHRBTP53
SCHEMBL3884883 0.85 LTB4R (0.47) TRPA1FFAR4TP53MDM2PPARG
SCHEMBL3883753 0.84 TP53 (0.46) TRPA1FFAR1FFAR4TGFBR1TP53
SCHEMBL27627093 0.84 LTB4R (0.46) TRPA1FFAR4THRATHRB
SCHEMBL3882693 0.83 ROCK2 (0.41) TRPA1FFAR4TGFBR1TP53MDM2

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 13/4885NPC1 84/4885

“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.