SCHEMBL95955

SCHEMBL95955

[CH2]c1c(C(=O)OC)cc(C(=O)OC)cc1C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.54
CA2 P00918 6/20 0.54
CA12 O43570 5/20 0.54
CA7 P43166 5/20 0.54
CA9 Q16790 5/20 0.54
CA14 Q9ULX7 5/20 0.54
KDM4E B2RXH2 7/20 0.52
GAA P10253 3/20 0.52
XDH P47989 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 1/20 0.52
NFKB1 P19838 1/20 0.52
GFER P55789 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
FUT7 Q11130 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 2/20 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
SCHEMBL10945485 0.80 CA1 (0.56) CA1CA2CA12CA7CA9
SCHEMBL9503966 0.80 CA1 (0.56) CA1CA2CA12CA7CA9
SCHEMBL5161494 0.80 KDM4E (0.65) CA1CA2CA12CA7CA9
SCHEMBL22828496 0.78 CA1 (0.54) CA1CA2CA12CA7CA9
SCHEMBL6512713 0.78 CA1 (0.54) CA1CA2CA12CA7CA9
SCHEMBL147169 0.78 CA1 (0.71) CA1CA2CA12CA7CA9
SCHEMBL97770 0.78 KDM4E (0.58) CA1CA2CA12CA7CA9
SCHEMBL9099121 0.77 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL6514253 0.77 CA1 (0.52) CA1CA2CA12CA7CA9
SCHEMBL6519929 0.77 CA1 (0.52) CA1CA2CA12CA7CA9

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB CA1 3276/4885CA2 823/4885CA12 3743/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 CA1 2592/4885CA2 254/4885CA12 1180/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CA1 2592/4885CA2 254/4885CA12 1180/4885

“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.