SCHEMBL96402

SCHEMBL96402

CCCCCC(=O)CC(C)(C)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.50
CES2 O00748 4/20 0.48
CES1 P23141 4/20 0.48
AKR1B1 P15121 1/20 0.46
HAO1 Q9UJM8 1/20 0.45
FAAH O00519 1/20 0.45
HSP90AA1 P07900 1/20 0.45
GPR84 Q9NQS5 7/20 0.44
PPARG P37231 6/20 0.44
PPARD Q03181 6/20 0.44
PPARA Q07869 6/20 0.44
HDAC11 Q96DB2 5/20 0.44
TSHR P16473 4/20 0.44
ALDH1A1 P00352 2/20 0.44
TLR2 O60603 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
FABP4 P15090 2/20 0.44
PTPN1 P18031 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44

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
SCHEMBL9431941 0.93 CES1 (0.46) KMT2AMAPTCES2CES1AKR1B1
SCHEMBL16013141 0.84 KMT2A (0.54) KMT2AMAPTCES2CES1HAO1
SCHEMBL23824840 0.83 CES2 (0.41) CES2CES1TSHRALDH1A1TDP1
SCHEMBL8897012 0.82 KMT2A (0.56) KMT2AMAPTCES2CES1HAO1
SCHEMBL4451253 0.82 KMT2A (0.56) KMT2AMAPTCES2CES1HAO1
SCHEMBL2994225 0.82 KMT2A (0.56) KMT2AMAPTCES2CES1HAO1
SCHEMBL29229899 0.82 KMT2A (0.56) KMT2AMAPTCES2CES1HAO1
SCHEMBL19617979 0.82 KMT2A (0.56) KMT2AMAPTCES2CES1HAO1
SCHEMBL11038929 0.82 KMT2A (0.56) KMT2AMAPTCES2CES1HAO1
SCHEMBL15393198 0.82 KMT2A (0.56) KMT2AMAPTCES2CES1HAO1

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 9 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
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 KMT2A 1059/4885MAPT 4112/4885CES2 4459/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 KMT2A 2732/4885MAPT 4773/4885CES2 4704/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 KMT2A 2732/4885MAPT 4773/4885CES2 4704/4885

“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.