SCHEMBL96520

SCHEMBL96520

O=[C]CCCOc1ccc(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.41
AOC3 Q16853 1/20 0.41
FFAR1 O14842 2/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
MAOA P21397 4/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
SOS1 Q07889 1/20 0.37
GRM2 Q14416 1/20 0.36
MCL1 Q07820 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PLA2G7 Q13093 1/20 0.35

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
SCHEMBL98636 0.95 MAOB (0.40) MAOBAOC3FFAR1PPARGPPARD
SCHEMBL5254681 0.79 MAOB (0.44) MAOBAOC3FFAR1MAOASOS1
SCHEMBL5540265 0.79 KDM4E (0.46) MEN1KMT2A
SCHEMBL14084030 0.77 MAOB (0.53) MAOBAOC3FFAR1PPARGPPARD
SCHEMBL4194831 0.77 MAOB (0.45) MAOBAOC3FFAR1PPARGPPARD
SCHEMBL5540013 0.76 ALDH3A1 (0.50) MEN1KMT2A
SCHEMBL3081834 0.76 MAOB (0.44) MAOBAOC3FFAR1PPARGPPARD
SCHEMBL96521 0.75 MAOB (0.44) MAOBAOC3FFAR1PPARGPPARD
SCHEMBL5253024 0.75 KDM4E (0.53) MEN1KMT2A
SCHEMBL4856586 0.75 MAOB (0.54) MAOBAOC3SOS1

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 MAOB 2043/4885AOC3 3400/4885FFAR1 2284/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 MAOB 4538/4885AOC3 3669/4885FFAR1 505/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 MAOB 4538/4885AOC3 3669/4885FFAR1 505/4885

“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.