SCHEMBL3687803

SCHEMBL3687803

COC(=O)CCc1cc(NC(C)=O)c(OC2CCCC2)c(-c2ccc3ccccc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
MTNR1A P48039 1/20 0.39
FFAR4 Q5NUL3 3/20 0.38
SLC6A3 Q01959 5/20 0.37
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
PTPN1 P18031 2/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL5780366 0.92 FFAR4 (0.47) CCNCCDK8MTNR1AFFAR4SLC6A3
SCHEMBL3681910 0.90 CCNC (0.42) CCNCCDK8FFAR4NPC1RAB9A
SCHEMBL3685485 0.89 CCNC (0.43) CCNCCDK8MTNR1AFFAR4SLC6A3
SCHEMBL27679989 0.88 CCNC (0.43) CCNCCDK8MTNR1AFFAR4SLC6A3
SCHEMBL3685170 0.87 CCNC (0.44) CCNCCDK8MTNR1AFFAR4SLC6A3
SCHEMBL3692228 0.86 CCNC (0.48) CCNCCDK8MTNR1AFFAR4SLC6A3
SCHEMBL3891295 0.85 CCNC (0.47) CCNCCDK8MTNR1AFFAR4SLC6A3
SCHEMBL3683736 0.83 FFAR4 (0.48) CCNCCDK8FFAR4THRATHRB
SCHEMBL3675582 0.83 CCNC (0.45) CCNCCDK8MTNR1AFFAR4SLC6A3
SCHEMBL3678558 0.82 FFAR4 (0.47) CCNCCDK8FFAR4THRATHRB

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 5 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

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 CCNC 3082/4885CDK8 4033/4885MTNR1A 58/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 CCNC 3082/4885CDK8 4033/4885MTNR1A 58/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 CCNC 3082/4885CDK8 4033/4885MTNR1A 58/4885

“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.