SCHEMBL96764

SCHEMBL96764

[O]CCCCCCc1nnnn1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.56
HTT P42858 3/20 0.51
PKM P14618 2/20 0.51
NLRP3 Q96P20 1/20 0.51
ALDH1A1 P00352 12/20 0.47
LMNA P02545 4/20 0.47
KMT2A Q03164 3/20 0.47
THRB P10828 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 2/20 0.44
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 3/20 0.43
POLB P06746 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 2/20 0.41
CCR6 P51684 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
SCHEMBL2968355 0.87 HSD11B1 (0.61) HSD11B1HTTPKMNLRP3ALDH1A1
SCHEMBL4413278 0.84 HSD11B1 (0.52) HSD11B1HTTPKMNLRP3ALDH1A1
SCHEMBL22716411 0.84 HSD11B1 (0.52) HSD11B1HTTPKMNLRP3ALDH1A1
SCHEMBL96765 0.84 HSD11B1 (0.56) HSD11B1HTTPKMNLRP3ALDH1A1
SCHEMBL4675275 0.83 HSD11B1 (0.64) HSD11B1HTTPKMNLRP3ALDH1A1
SCHEMBL4406817 0.83 HSD11B1 (0.54) HSD11B1HTTPKMNLRP3ALDH1A1
SCHEMBL10670995 0.82 HSD11B1 (0.64) HSD11B1HTTPKMNLRP3ALDH1A1
SCHEMBL4407255 0.81 HSD11B1 (0.55) HSD11B1HTTPKMNLRP3ALDH1A1
SCHEMBL10677744 0.81 HSD11B1 (0.63) HSD11B1HTTPKMNLRP3ALDH1A1
SCHEMBL10672820 0.80 HSD11B1 (0.66) HSD11B1HTTPKMNLRP3ALDH1A1

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 13 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
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
CN-101068810-A Carbostyril compound OTSUKA PHARMA CO LTD (JP) 2007-11-07 CN 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 HSD11B1 170/4885HTT 4495/4885PKM 3397/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 HSD11B1 455/4885HTT 4175/4885PKM 2789/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 HSD11B1 455/4885HTT 4175/4885PKM 2789/4885

“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.