SCHEMBL95923

SCHEMBL95923

[CH2]CCCCCOCCCCCCOC

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL2146763 1.00 ALDH1A1 (0.39) ALDH1A1MEN1THRBHTTKMT2A
SCHEMBL1005396 0.92 MEN1 (0.38) ALDH1A1MEN1THRBHTTKMT2A
SCHEMBL28550570 0.92 MEN1 (0.38) ALDH1A1MEN1THRBHTTKMT2A
SCHEMBL28553406 0.92 MEN1 (0.38) ALDH1A1MEN1THRBHTTKMT2A
SCHEMBL7713157 0.92 MEN1 (0.38) ALDH1A1MEN1THRBHTTKMT2A
SCHEMBL11779333 0.92 MEN1 (0.38) ALDH1A1MEN1THRBHTTKMT2A
SCHEMBL14655773 0.92 MEN1 (0.38) ALDH1A1MEN1THRBHTTKMT2A
SCHEMBL199247 0.92 ALDH1A1 (0.36) ALDH1A1MEN1THRBHTTKMT2A
SCHEMBL329517 0.92 ALDH1A1 (0.36) ALDH1A1MEN1THRBHTTKMT2A
SCHEMBL816118 0.92 ALDH1A1 (0.44) ALDH1A1

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-2007119600-A9 CARBAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2008-05-02 WO disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO 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

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 ALDH1A1 2948/4885MEN1 4401/4885THRB 1961/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885MEN1 3912/4885THRB 2008/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885MEN1 3912/4885THRB 2008/4885

“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.