SCHEMBL95513

SCHEMBL95513

CCCCCOCCCCOC[C](C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.61
HTT P42858 2/20 0.54
MEN1 O00255 1/20 0.54
THRB P10828 1/20 0.54
KMT2A Q03164 1/20 0.54
MAPT P10636 1/20 0.54
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
USP2 O75604 1/20 0.42
LPAR3 Q9UBY5 3/20 0.41
LPAR1 Q92633 2/20 0.41
LPAR2 Q9HBW0 2/20 0.41
CYP3A4 P08684 1/20 0.41
CES1 P23141 1/20 0.41
LPAR5 Q9H1C0 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL96284 0.97 CES2 (0.64) CES2HTTMEN1THRBKMT2A
SCHEMBL8466858 0.95 CES2 (0.68) CES2HTTMEN1THRBKMT2A
SCHEMBL2766744 0.95 CES2 (0.68) CES2HTTMEN1THRBKMT2A
SCHEMBL16443205 0.90 TSHR (0.54) CES2HTTMEN1THRBKMT2A
SCHEMBL58851 0.90
Ethane SCHEMBL7611793 0.84 THRB (0.62) CES2HTTMEN1THRBKMT2A
Methyl Alcohol SCHEMBL5708979 0.81 HTT (0.67) CES2HTTMEN1THRBKMT2A
Ethane SCHEMBL27521189 0.81 THRB (0.67) CES2HTTMEN1THRBKMT2A
Ethane SCHEMBL28116130 0.81 THRB (0.67) CES2HTTMEN1THRBKMT2A
Ethane SCHEMBL28876341 0.81 THRB (0.59) CES2HTTMEN1THRBKMT2A

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 14 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
CN-101068810-B Carbostyril compound OTSUKA PHARMA CO LTD 2011-02-09 CN 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
CN-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN disclosed
WO-2007119600-A9 CARBAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2008-05-02 WO disclosed
CN-101068810-A Carbostyril compound OTSUKA PHARMA CO LTD (JP) 2007-11-07 CN disclosed
WO-2007119600-A1 CARBAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 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 CES2 4459/4885HTT 4495/4885MEN1 4401/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 CES2 4704/4885HTT 4175/4885MEN1 3912/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CES2 4704/4885HTT 4175/4885MEN1 3912/4885

“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.