SCHEMBL97038

SCHEMBL97038

OCCCCOCCCCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
LTA4H P09960 1/20 0.51
EPHX2 P34913 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
IDO1 P14902 1/20 0.48
FFAR1 O14842 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MAOA P21397 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MAOB P27338 1/20 0.45

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
SCHEMBL97369 0.98 TDP1 (0.53) TDP1LTA4HEPHX2L3MBTL1MEN1
SCHEMBL9574223 0.98 TDP1 (0.53) TDP1LTA4HEPHX2L3MBTL1MEN1
SCHEMBL9574291 0.98 TDP1 (0.53) TDP1LTA4HEPHX2L3MBTL1MEN1
SCHEMBL96692 0.98 TDP1 (0.53) TDP1LTA4HEPHX2L3MBTL1MEN1
SCHEMBL2010505 0.96 TDP1 (0.52) TDP1LTA4HEPHX2L3MBTL1MEN1
SCHEMBL26986089 0.96 IDO1 (0.53) TDP1LTA4HEPHX2L3MBTL1MEN1
SCHEMBL1007629 0.94 IDO1 (0.52) TDP1LTA4HEPHX2L3MBTL1MEN1
SCHEMBL3438759 0.94 IDO1 (0.52) TDP1LTA4HEPHX2L3MBTL1MEN1
SCHEMBL10390214 0.94 TDP1 (0.50) TDP1LTA4HEPHX2L3MBTL1MEN1
SCHEMBL1007405 0.94 IDO1 (0.52) TDP1LTA4HEPHX2L3MBTL1MEN1

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 TDP1 3588/4885LTA4H 2424/4885EPHX2 4180/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 TDP1 4079/4885LTA4H 919/4885EPHX2 4490/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 TDP1 4079/4885LTA4H 919/4885EPHX2 4490/4885

“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.