SCHEMBL97645

SCHEMBL97645

CCCCCCc1ccccc1-c1noc(CCCCCCO)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.50
HDAC1 Q13547 5/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
ATM Q13315 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SPHK1 Q9NYA1 1/20 0.43
LIPG Q9Y5X9 1/20 0.42
S1PR2 O95136 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
LPAR2 Q9HBW0 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL95288 0.90 NOTUM (0.50) PPARAHDAC1HDAC2HDAC8ATM
SCHEMBL97644 0.87 PPARA (0.50) PPARAHDAC1HDAC2HDAC8ATM
SCHEMBL95287 0.85 PPARA (0.47) PPARAHDAC1HDAC2HDAC8ATM
SCHEMBL96813 0.77 MAPT (0.44) PPARAATMNPSR1MEN1LMNA
SCHEMBL3255164 0.75 PPARA (0.48) PPARAHDAC1HDAC2HDAC8ATM
SCHEMBL3026750 0.73 LIPG (0.60) PPARAMEN1LMNATSHRHTT
SCHEMBL17132043 0.73 LIPG (0.45) PPARALIPGALDH1A1
SCHEMBL2970324 0.72 SIRT2 (0.62) PPARAHDAC1HDAC2HDAC8ATM
SCHEMBL12380049 0.72 NPC1 (0.69) PPARANPSR1MEN1TSHRHTT
SCHEMBL1311624 0.72 SPHK1 (0.64) PPARAHDAC1HDAC2HDAC8ATM

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 PPARA 3385/4885HDAC1 476/4885HDAC2 423/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 PPARA 1465/4885HDAC1 1814/4885HDAC2 1170/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 PPARA 1465/4885HDAC1 1814/4885HDAC2 1170/4885

“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.