SCHEMBL98050

SCHEMBL98050

O=[C]CCCOc1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.56
TDP1 Q9NUW8 1/20 0.56
KDM4E B2RXH2 4/20 0.49
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
RECQL P46063 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 2/20 0.44
TTR P02766 1/20 0.44
DAO P14920 1/20 0.43
MAPT P10636 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
SCHEMBL5539094 0.91 L3MBTL1 (0.53) L3MBTL1TDP1KDM4EKMT2AALDH1A1
SCHEMBL514459 0.79 L3MBTL1 (0.47) L3MBTL1TDP1KDM4EKMT2AALDH1A1
SCHEMBL5536235 0.76 GRM2 (0.40) L3MBTL1TDP1KDM4EKMT2AMEN1
SCHEMBL5659994 0.76 L3MBTL1 (0.63) L3MBTL1TDP1KDM4EKMT2AALDH1A1
SCHEMBL2089979 0.76 L3MBTL1 (0.58) L3MBTL1TDP1KDM4EKMT2AALDH1A1
SCHEMBL31391953 0.76 L3MBTL1 (0.53) L3MBTL1TDP1KDM4EKMT2AALDH1A1
SCHEMBL4597591 0.76 L3MBTL1 (0.53) L3MBTL1TDP1KDM4EKMT2AALDH1A1
SCHEMBL15923590 0.76 L3MBTL1 (0.62) L3MBTL1TDP1KDM4EKMT2AALDH1A1
SCHEMBL7162391 0.75 HTR1B (0.62) TDP1KDM4EALDH1A1
SCHEMBL3074417 0.75 L3MBTL1 (0.61) L3MBTL1TDP1KDM4EKMT2AALDH1A1

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
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

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 L3MBTL1 1099/4885TDP1 3588/4885KDM4E 1125/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 L3MBTL1 262/4885TDP1 4079/4885KDM4E 3919/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 L3MBTL1 262/4885TDP1 4079/4885KDM4E 3919/4885

“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.