SCHEMBL98637

SCHEMBL98637

O=CCCCCOc1ccc(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
AOC3 Q16853 1/20 0.43
FFAR1 O14842 2/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
FFAR4 Q5NUL3 1/20 0.36
GRM2 Q14416 1/20 0.36
SOS1 Q07889 1/20 0.36
PDIA6 Q15084 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
MAOA P21397 1/20 0.35
MCL1 Q07820 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
SCHEMBL96521 0.95 MAOB (0.44) MAOBAOC3FFAR1PPARGPPARD
SCHEMBL25794969 0.84 ADRB3 (0.40) MAOBFFAR1PPARGPPARDMCL1
SCHEMBL8437045 0.81 MRGPRX4 (0.45) FFAR1PPARDFFAR4PDIA6DRD2
SCHEMBL2563849 0.78 MAOB (0.47) MAOBAOC3SOS1MAOA
SCHEMBL863991 0.77 MAOB (0.46) MAOBFFAR1FFAR4MAOA
SCHEMBL7784021 0.77 NR5A1 (0.52) MCL1
SCHEMBL5534932 0.77 DRD4 (0.50) DRD2DRD4DRD3
SCHEMBL7331339 0.77 MAOB (0.42) MAOBAOC3FFAR1PPARGPPARD
SCHEMBL2975496 0.77 SOD1 (0.39)
SCHEMBL98636 0.76 MAOB (0.40) MAOBAOC3FFAR1PPARGPPARD

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 3400/4885FFAR1 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.