SCHEMBL94568

SCHEMBL94568

CC(C)(CNC1CCCCC1)OC=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.38
ADH1C P00326 2/20 0.38
ADH1A P07327 2/20 0.38
ADH4 P08319 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
ADH7 P40394 1/20 0.34
KDM4E B2RXH2 2/20 0.34
DPP7 Q9UHL4 1/20 0.34
CXCR4 P61073 2/20 0.34
CXCL12 P48061 1/20 0.34
EPHX2 P34913 1/20 0.34
EPHX1 P07099 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL28667827 0.84 GNAI3 (0.37) DPP7EPHX1TDP1POLB
SCHEMBL23137867 0.77 ADH1B (0.40) ADH1BADH1CADH1AADH4L3MBTL1
SCHEMBL9935970 0.77 ADH1B (0.40) ADH1BADH1CADH1AADH4L3MBTL1
SCHEMBL29843401 0.76 KDM4E (0.40) KDM4EDPP7CXCR4CXCL12EPHX2
SCHEMBL4776115 0.75 ALDH1A1 (0.39) KDM4EDPP7CXCR4CXCL12EPHX2
SCHEMBL94567 0.74 KDM4E (0.34) KDM4EEPHX2EPHX1NPSR1TDP1
SCHEMBL18177820 0.73 KDM4E (0.43) KDM4EDPP7EPHX1TDP1HTR1A
SCHEMBL11053891 0.73 KDM4E (0.43) KDM4EDPP7EPHX1TDP1HTR1A
SCHEMBL27624224 0.73
SCHEMBL25221648 0.72 CYP1A2 (0.38) ADH1BADH1CADH1AADH4ADH7

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 9 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
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 ADH1B 2073/4885ADH1C 2430/4885ADH1A 2734/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 ADH1B 1139/4885ADH1C 786/4885ADH1A 848/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 ADH1B 1139/4885ADH1C 786/4885ADH1A 848/4885

“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.