SCHEMBL97852

SCHEMBL97852

O=[C]CC=Cc1cccc2c1OCCO2

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
MTNR1A P48039 8/20 0.38
CTNNB1 P35222 3/20 0.35
WNT3A P56704 3/20 0.35
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
ADRB1 P08588 1/20 0.35
ROCK2 O75116 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ROCK1 Q13464 1/20 0.34
MAOB P27338 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
SCHEMBL97851 1.00 KDM4E (0.55) KDM4EMTNR1ACTNNB1WNT3AITGB2
SCHEMBL1012582 0.74 KDM4E (0.61) KDM4EMTNR1ACTNNB1WNT3AITGB2
SCHEMBL2089139 0.73 KDM4E (0.60) KDM4EMTNR1ACTNNB1WNT3AITGB2
SCHEMBL2089142 0.73 KDM4E (0.60) KDM4EMTNR1ACTNNB1WNT3AITGB2
SCHEMBL1536574 0.71 KDM4E (1.00) KDM4EMTNR1ACTNNB1WNT3AMAOB
SCHEMBL1536573 0.71 KDM4E (1.00) KDM4EMTNR1ACTNNB1WNT3AMAOB
SCHEMBL96451 0.71 MAOB (0.41) KDM4EMAOB
SCHEMBL96450 0.71 MAOB (0.41) KDM4EMAOB
SCHEMBL1009956 0.70 KDM4E (0.56) KDM4EITGB2ICAM1ITGALMAOB
SCHEMBL1009957 0.70 KDM4E (0.56) KDM4EITGB2ICAM1ITGALMAOB

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 KDM4E 1125/4885MTNR1A 1110/4885CTNNB1 1401/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 KDM4E 3919/4885MTNR1A 460/4885CTNNB1 3820/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 KDM4E 3919/4885MTNR1A 460/4885CTNNB1 3820/4885

“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.