SCHEMBL3684450

SCHEMBL3684450

CCOC(=O)CCc1cc(Br)c(OC2CCCC2)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.58
THRB P10828 3/20 0.58
KMT2A Q03164 7/20 0.55
MEN1 O00255 4/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MITF O75030 1/20 0.47
ABCB1 P08183 1/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA4 P22748 3/20 0.45
CA6 P23280 3/20 0.45
SIGMAR1 Q99720 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL3888753 0.81 THRA (0.48) THRATHRBALDH1A1HDAC1HDAC2
SCHEMBL3884897 0.81 THRA (0.50) THRATHRBKMT2AMEN1ALDH1A1
SCHEMBL3682529 0.80 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL7953719 0.79 ALDH1A1 (0.48) THRATHRBKMT2AMEN1ALDH1A1
SCHEMBL491077 0.79 ALDH1A1 (0.62) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL3681959 0.78 ALOX5 (0.55) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL3682845 0.78 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1LMNAABCB1
SCHEMBL3685994 0.77 DRD2 (0.55) KMT2AMEN1ALDH1A1
SCHEMBL3885651 0.77 THRA (0.60) THRATHRBKMT2AMEN1GAA
SCHEMBL3682189 0.77 THRA (0.60) THRATHRBKMT2AMEN1GAA

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 578/4885KMT2A 1597/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 THRA 309/4885THRB 578/4885KMT2A 1597/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 THRA 309/4885THRB 578/4885KMT2A 1597/4885

“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.