SCHEMBL3689404

SCHEMBL3689404

COC(=O)CCc1cc(Br)c(OCC2CCCC2)c(-c2ccc3ccccc3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.53
THRB P10828 5/20 0.53
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
SLC6A3 Q01959 5/20 0.38
SLC6A2 P23975 3/20 0.38
PTPN1 P18031 2/20 0.38
SLC6A4 P31645 1/20 0.38
HRH3 Q9Y5N1 2/20 0.36
ADAM17 P78536 1/20 0.36
ALDH1A1 P00352 1/20 0.36
FABP4 P15090 1/20 0.35
FFAR4 Q5NUL3 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
SCHEMBL3882050 0.89 CCNC (0.46) THRATHRBCCNCCDK8SLC6A3
SCHEMBL3881749 0.89 CCNC (0.46) THRATHRBCCNCCDK8SLC6A3
SCHEMBL3884514 0.85 CCNC (0.43) THRATHRBCCNCCDK8SLC6A3
SCHEMBL3686021 0.85 THRA (0.49) THRATHRBHRH3
SCHEMBL3883719 0.85 CCNC (0.48) CCNCCDK8SLC6A3SLC6A2PTPN1
SCHEMBL3690505 0.84 THRA (0.73) THRATHRBHRH3ADAM17ALDH1A1
SCHEMBL3687582 0.79 CCNC (0.44) CCNCCDK8SLC6A3SLC6A2PTPN1
SCHEMBL3680135 0.79 THRA (0.65) THRATHRBHRH3ADAM17ALDH1A1
SCHEMBL3680076 0.79 THRA (0.62) THRATHRBHRH3ADAM17ALDH1A1
SCHEMBL7737493 0.79 THRB (0.48) THRATHRBPTPN1HRH3ALDH1A1

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 THRA 309/4885THRB 578/4885CCNC 3082/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 THRA 309/4885THRB 578/4885CCNC 3082/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 THRA 309/4885THRB 578/4885CCNC 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.