SCHEMBL3684873

SCHEMBL3684873

O=CNc1cc(CCC(=O)O)cc(-c2ccc3ccccc3c2)c1OC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 11/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
FFAR1 O14842 3/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
S1PR4 O95977 5/20 0.37
S1PR5 Q9H228 5/20 0.37
CYP1A2 P05177 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
SCHEMBL3684362 0.89 FFAR4 (0.48) FFAR4THRATHRBFFAR1CCNC
SCHEMBL27699024 0.88 FFAR4 (0.45) FFAR4THRATHRBFFAR1CCNC
SCHEMBL3683736 0.88 FFAR4 (0.48) FFAR4THRATHRBFFAR1CCNC
SCHEMBL3678558 0.87 FFAR4 (0.47) FFAR4THRATHRBFFAR1CCNC
SCHEMBL5780366 0.87 FFAR4 (0.47) FFAR4THRATHRBFFAR1CCNC
SCHEMBL3680094 0.85 FFAR4 (0.46) FFAR4THRATHRBFFAR1CCNC
SCHEMBL27699026 0.85 FFAR4 (0.46) FFAR4THRATHRBFFAR1CCNC
SCHEMBL3680087 0.84 THRA (0.52) FFAR4THRATHRBFFAR1CCNC
SCHEMBL3683933 0.84 THRA (0.52) FFAR4THRATHRBFFAR1CCNC
SCHEMBL3689057 0.83 THRA (0.51) FFAR4THRATHRBFFAR1CCNC

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 7 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
EP-1660427-A4 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2006-12-20 EP disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 EP disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 WO 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 FFAR4 35/4885THRA 309/4885THRB 578/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 FFAR4 35/4885THRA 309/4885THRB 578/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 FFAR4 35/4885THRA 309/4885THRB 578/4885

“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.