SCHEMBL3675627

SCHEMBL3675627

O=C(O)CCc1ccc(OCCNc2ccccc2)c(-c2ccc3ccccc3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 8/20 0.53
FFAR1 O14842 9/20 0.51
CYP1A2 P05177 1/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
S1PR4 O95977 1/20 0.41
S1PR5 Q9H228 1/20 0.41
CYP2C9 P11712 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
CASR P41180 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
TP53 P04637 1/20 0.41
MDM2 Q00987 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
SCHEMBL3685294 0.91 CCNC (0.48) FFAR4FFAR1CYP1A2CCNCCDK8
SCHEMBL3887901 0.86 FFAR4 (0.58) FFAR4FFAR1CYP1A2CCNCCDK8
SCHEMBL3882365 0.85 FFAR4 (0.59) FFAR4FFAR1CYP1A2CCNCCDK8
SCHEMBL3885554 0.84 FFAR4 (0.56) FFAR4FFAR1CYP1A2CCNCCDK8
SCHEMBL3882226 0.82 FFAR4 (0.53) FFAR4FFAR1CYP1A2CCNCCDK8
SCHEMBL3883654 0.82 FFAR4 (0.59) FFAR4FFAR1CCNCCDK8CYP2C9
SCHEMBL3884456 0.82 FFAR1 (0.60) FFAR4FFAR1
SCHEMBL3882007 0.81 FFAR4 (0.59) FFAR4FFAR1TP53MDM2
SCHEMBL5776194 0.81 SMN1; SMN2 (0.42) FFAR4FFAR1CYP1A2CYP2C9
SCHEMBL3683148 0.80 FFAR4 (0.61) FFAR4FFAR1CYP1A2CCNCCDK8

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 35/4885FFAR1 11/4885CYP1A2 486/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 FFAR4 35/4885FFAR1 11/4885CYP1A2 486/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 FFAR4 35/4885FFAR1 11/4885CYP1A2 486/4885

“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.