SCHEMBL3688515

SCHEMBL3688515

CCOC(=O)C=Cc1ccc(OCc2ccccc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.55
CA7 P43166 3/20 0.55
CA9 Q16790 3/20 0.55
CA14 Q9ULX7 3/20 0.55
LMNA P02545 2/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
AKR1B10 O60218 5/20 0.54
AKR1B1 P15121 5/20 0.54
CA4 P22748 2/20 0.54
CA6 P23280 2/20 0.54
CA5A P35218 2/20 0.54
CA5B Q9Y2D0 2/20 0.54
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
TTR P02766 2/20 0.50
FFAR1 O14842 1/20 0.50
KDM4E B2RXH2 1/20 0.49
PTGS2 P35354 1/20 0.48
NR1H4 Q96RI1 1/20 0.48

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
SCHEMBL3688513 1.00 CA12 (0.55) CA12CA7CA9CA14LMNA
SCHEMBL15248922 0.86 KMT2A (0.47) CA12CA7CA9CA14LMNA
SCHEMBL3095019 0.84 GSK3B (0.51) CA12CA7CA9CA14LMNA
SCHEMBL3095033 0.84 GSK3B (0.51) CA12CA7CA9CA14LMNA
SCHEMBL9757028 0.84 KDM4E (0.58) CA12CA7CA9CA14LMNA
SCHEMBL9757027 0.84 KDM4E (0.58) CA12CA7CA9CA14LMNA
SCHEMBL6539315 0.83 GSK3B (0.68) CA12CA7CA9CA14LMNA
SCHEMBL6539306 0.83 GSK3B (0.68) CA12CA7CA9CA14LMNA
SCHEMBL29926910 0.83 LMNA (0.56) CA12CA7CA9CA14LMNA
SCHEMBL5989565 0.82 LMNA (0.45) CA12CA7CA9CA14LMNA

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 CA12 3810/4885CA7 1652/4885CA9 1576/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 CA12 3810/4885CA7 1652/4885CA9 1576/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 CA12 3810/4885CA7 1652/4885CA9 1576/4885

“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.