SCHEMBL3680372

SCHEMBL3680372

O=C(O)CCc1ccc(Cc2ccccc2)c(-c2ccc3ccccc3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.56
CYP1A2 P05177 2/20 0.56
CCNC P24863 1/20 0.54
CDK8 P49336 1/20 0.54
PLA2G10 O15496 2/20 0.52
PLA2G2A P14555 2/20 0.52
SLCO1B1 Q9Y6L6 1/20 0.52
FFAR1 O14842 6/20 0.48
TP53 P04637 1/20 0.47
MDM2 Q00987 1/20 0.47
PLA2G4A P47712 1/20 0.46
BCL2L1 Q07817 1/20 0.46
MCL1 Q07820 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
KEAP1 Q14145 1/20 0.45
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44

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
SCHEMBL3682280 0.87 CCNC (0.56) FFAR4CYP1A2CCNCCDK8TP53
SCHEMBL3683679 0.83 FFAR4 (0.60) FFAR4CYP1A2CCNCCDK8PLA2G10
SCHEMBL3685473 0.81 FFAR4 (0.55) FFAR4CYP1A2CCNCCDK8PLA2G10
SCHEMBL3678003 0.79 FFAR1 (0.57) FFAR4CYP1A2CCNCCDK8PLA2G10
SCHEMBL3884456 0.79 FFAR1 (0.60) FFAR4FFAR1
SCHEMBL8451511 0.79 FFAR1 (0.71) FFAR4CYP1A2CCNCCDK8FFAR1
SCHEMBL30403190 0.79 CYP1A2 (0.80) FFAR4CYP1A2FFAR1CYP2D6CYP2C19
SCHEMBL1217683 0.79 CYP1A2 (0.80) FFAR4CYP1A2FFAR1CYP2D6CYP2C19
SCHEMBL3683148 0.79 FFAR4 (0.61) FFAR4CYP1A2CCNCCDK8FFAR1
SCHEMBL3882947 0.79 FFAR4 (0.80) FFAR4CYP1A2CCNCCDK8FFAR1

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
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
CN-101031539-A Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORP (JP) 2007-09-05 CN 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 35/4885CYP1A2 486/4885CCNC 3082/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 FFAR4 35/4885CYP1A2 486/4885CCNC 3082/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 FFAR4 35/4885CYP1A2 486/4885CCNC 3082/4885

“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.