SCHEMBL94567

SCHEMBL94567

CC(C)(CNC1CCCCC1)O[C]=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
EPHX2 P34913 1/20 0.34
EPHX1 P07099 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.33
HTR1A P08908 1/20 0.33
DPP4 P27487 4/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL29843401 0.76 KDM4E (0.40) KDM4EEPHX2NPSR1POLBHTR1A
SCHEMBL4776115 0.75 ALDH1A1 (0.39) KDM4EEPHX2EPHX1POLBHTR1A
SCHEMBL94568 0.74 ADH1B (0.38) KDM4EEPHX2EPHX1NPSR1POLB
SCHEMBL18177820 0.73 KDM4E (0.43) KDM4EEPHX1HTR1AMEN1GAA
SCHEMBL11053891 0.73 KDM4E (0.43) KDM4EEPHX1HTR1AMEN1GAA
SCHEMBL9285591 0.71 KDM4E (0.39) KDM4EEPHX1NPSR1HTR1AMEN1
SCHEMBL11149818 0.70 KDM4E (0.40) KDM4EEPHX1HTR1AMEN1GAA
SCHEMBL15114086 0.70 KDM4E (0.40) KDM4EEPHX1HTR1AMEN1GAA
SCHEMBL7123522 0.70 KDM4E (0.45) KDM4EEPHX1HTR1AHTT
SCHEMBL17642227 0.70 KDM4E (0.40) KDM4EEPHX1POLBHTR1AMEN1

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 KDM4E 1125/4885EPHX2 4180/4885EPHX1 4476/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 KDM4E 3919/4885EPHX2 4490/4885EPHX1 4541/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 KDM4E 3919/4885EPHX2 4490/4885EPHX1 4541/4885

“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.