SCHEMBL3684285

SCHEMBL3684285

O=Cc1ccc(O)c(OCBr)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.70
ALDH5A1 P51649 2/20 0.61
ABAT P80404 2/20 0.61
HPGD P15428 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
TRIM24 O15164 1/20 0.61
TRIM33 Q9UPN9 1/20 0.61
KDM4E B2RXH2 2/20 0.52
PTGS2 P35354 2/20 0.52
RAB9A P51151 1/20 0.52
AOX1 Q06278 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TOP2A P11388 2/20 0.45
FDPS P14324 1/20 0.45
TSHR P16473 3/20 0.43
XDH P47989 1/20 0.42
ALPI P09923 2/20 0.42
ALPG P10696 2/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL9072185 0.86 ALDH1A1 (0.66) ALDH1A1ALDH5A1ABATHPGDTDP1
SCHEMBL17782945 0.84 ALDH1A1 (0.72) ALDH1A1ALDH5A1ABATHPGDTDP1
Ethyl Vanillin SCHEMBL719058 0.82 ALDH1A1 (1.00) ALDH1A1ALDH5A1ABATHPGDTDP1
SCHEMBL15299814 0.82 ALDH1A1 (0.70) ALDH1A1ALDH5A1ABATHPGDTDP1
SCHEMBL13498226 0.82 ALDH1A1 (0.70) ALDH1A1ALDH5A1ABATHPGDTDP1
SCHEMBL6784422 0.82 ALDH1A1 (0.70) ALDH1A1ALDH5A1ABATHPGDTDP1
Ethyl Vanillin SCHEMBL29351334 0.82 ALDH1A1 (1.00) ALDH1A1ALDH5A1ABATHPGDTDP1
Ethyl Vanillin SCHEMBL30247 0.82 ALDH1A1 (1.00) ALDH1A1ALDH5A1ABATHPGDTDP1
Ethyl Vanillin SCHEMBL30402049 0.81 ALDH1A1 (0.97) ALDH1A1ALDH5A1ABATHPGDTDP1
SCHEMBL11721524 0.81 ALDH1A1 (0.68) ALDH1A1ALDH5A1ABATHPGDTDP1

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 ALDH1A1 996/4885ALDH5A1 1536/4885ABAT 1321/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 ALDH1A1 996/4885ALDH5A1 1536/4885ABAT 1321/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 ALDH1A1 996/4885ALDH5A1 1536/4885ABAT 1321/4885

“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.