SCHEMBL3685248

SCHEMBL3685248

CCOC(=O)CCc1cnc(OCC2CCCC2)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.49
THRB P10828 3/20 0.49
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
CNR2 P34972 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SYK P43405 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
F10 P00742 2/20 0.36
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 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
SCHEMBL5750878 0.85 THRA (0.67) THRATHRBPDCD1CD274LMNA
SCHEMBL3884608 0.81 THRA (0.50) THRATHRBCYP4F2CYP4A11HRH3
SCHEMBL27699017 0.80 THRA (0.57) THRATHRBLMNA
SCHEMBL3685341 0.78 CCNC (0.43) CNR2HRH3SYK
SCHEMBL3685412 0.78 CYP4F2 (0.47) THRATHRBCYP4F2CYP4A11HRH3
SCHEMBL5751775 0.76 TDP1 (0.49) THRATHRBCYP4F2CYP4A11TDP1
SCHEMBL3687493 0.76 CYP4F2 (0.48) THRATHRBCYP4F2CYP4A11SYK
SCHEMBL25760634 0.73 CYP4F2 (0.46) THRATHRBCYP4F2CYP4A11SYK
SCHEMBL3692367 0.73 MAOB (0.46) THRATHRBCYP4F2CYP4A11SYK
SCHEMBL8984887 0.73 CYP4F2 (0.46) THRATHRBCYP4F2CYP4A11HRH3

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 4 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

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 578/4885CYP4F2 1033/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 THRA 309/4885THRB 578/4885CYP4F2 1033/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 THRA 309/4885THRB 578/4885CYP4F2 1033/4885

“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.