SCHEMBL98636

SCHEMBL98636

O=[C]CCCCOc1ccc(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.40
AOC3 Q16853 1/20 0.40
MAOA P21397 5/20 0.38
FFAR1 O14842 2/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
FFAR4 Q5NUL3 1/20 0.36
GRM2 Q14416 1/20 0.36
SOS1 Q07889 1/20 0.36
PDIA6 Q15084 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
SCHEMBL96520 0.95 MAOB (0.41) MAOBAOC3MAOAFFAR1PPARG
SCHEMBL5254681 0.78 MAOB (0.44) MAOBAOC3MAOAFFAR1SOS1
SCHEMBL7331339 0.77 MAOB (0.42) MAOBAOC3MAOAFFAR1PPARG
SCHEMBL5534926 0.77 ALDH3A1 (0.53)
SCHEMBL2975493 0.77 SOD1 (0.42) MAOBMAOA
SCHEMBL7784021 0.77 NR5A1 (0.52)
SCHEMBL98637 0.76 MAOB (0.43) MAOBAOC3MAOAFFAR1PPARG
SCHEMBL14084030 0.76 MAOB (0.53) MAOBAOC3FFAR1PPARGPPARD
SCHEMBL4194831 0.76 MAOB (0.45) MAOBAOC3MAOAFFAR1PPARG
SCHEMBL8454472 0.75 NR5A1 (0.55)

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 7 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

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 3400/4885MAOA 4200/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 MAOB 4538/4885AOC3 3669/4885MAOA 4581/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 MAOB 4538/4885AOC3 3669/4885MAOA 4581/4885

“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.