SCHEMBL96514

SCHEMBL96514

O=[C]CCCCCOc1ccc(I)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
KCNA3 P22001 1/20 0.39
PRMT1 Q99873 3/20 0.38
F2 P00734 2/20 0.38
ST14 Q9Y5Y6 2/20 0.38
PLAU P00749 1/20 0.38
PRMT5 O14744 1/20 0.38
NR5A1 Q13285 1/20 0.38
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
TMPRSS2 O15393 1/20 0.38
PTP4A3 O75365 1/20 0.38
SLC22A3 O75751 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
S100B P04271 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38

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
SCHEMBL5548012 0.98 APP (0.44) APPGAAL3MBTL1KCNA3
SCHEMBL97755 0.86 APP (0.47) APPGAA
SCHEMBL7351930 0.81 NR5A1 (0.59) NR5A1
SCHEMBL5539527 0.81 ALDH3A1 (0.51) DRD3KCNH2HRH3
SCHEMBL96054 0.81 KCNA3 (0.64) KCNA3DRD3
SCHEMBL7500084 0.81 KCNA3 (0.64) KCNA3DRD3
SCHEMBL11617118 0.81 KCNA3 (0.64) KCNA3DRD3
SCHEMBL11578031 0.81 KCNA3 (0.64) KCNA3DRD3
SCHEMBL12162919 0.80 APP (0.48) APPGAAKCNA3PRMT1F2
SCHEMBL5534926 0.79 ALDH3A1 (0.53) DRD3KCNH2HRH3

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 APP 3826/4885GAA 4574/4885L3MBTL1 1099/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 APP 4733/4885GAA 4784/4885L3MBTL1 262/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 APP 4733/4885GAA 4784/4885L3MBTL1 262/4885

“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.