SCHEMBL96261

SCHEMBL96261

CC([C]=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 4/20 0.43
NR1H4 Q96RI1 2/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
TYR P14679 1/20 0.39
ATM Q13315 1/20 0.38
GPR35 Q9HC97 1/20 0.38
FFAR1 O14842 1/20 0.38
ALDH1A1 P00352 2/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HDAC1 Q13547 1/20 0.36
KIF11 P52732 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36

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
SCHEMBL10585660 0.83 TYR (0.35) TYR
SCHEMBL6141346 0.81 PDE2A (0.46) FFAR1AKR1C3AKR1C2
SCHEMBL10764941 0.81 PDE2A (0.46) FFAR1AKR1C3AKR1C2
SCHEMBL8911438 0.80 TSHR (0.42) GRIA4NR1H4TSHRLMNATP53
SCHEMBL1611993 0.78 TSHR (0.41) GRIA4NR1H4TSHRLMNATP53
SCHEMBL11043704 0.78 KIF11 (0.45) GRIA4NR1H4TSHRLMNATP53
SCHEMBL4831620 0.75 CHRNA7 (0.41) GRIA4LMNAFFAR1ALDH1A1
SCHEMBL911297 0.75 CHRNA7 (0.41) GRIA4LMNAFFAR1ALDH1A1
SCHEMBL8053565 0.75 GRIA4 (0.47) GRIA4NR1H4TSHRLMNATP53
SCHEMBL548066 0.74 TSHR (0.50) GRIA4NR1H4TSHRLMNATP53

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 GRIA4 2374/4885NR1H4 1771/4885TSHR 3439/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 GRIA4 1934/4885NR1H4 1462/4885TSHR 110/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 GRIA4 1934/4885NR1H4 1462/4885TSHR 110/4885

“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.