SCHEMBL96855

SCHEMBL96855

CC(OCCO[C]=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 3/20 0.40
SCN2A Q99250 3/20 0.40
SCN3A Q9NY46 3/20 0.40
HCAR2 Q8TDS4 1/20 0.37
CHRM2 P08172 3/20 0.36
CHRM4 P08173 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
ADRA2B P18089 1/20 0.36
SLC6A2 P23975 1/20 0.36
HRH2 P25021 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL431888 0.79 SCN1A (0.41) SCN1ASCN2ASCN3AHCAR2CHRM2
SCHEMBL19368242 0.77 HPGD (0.41) SCN1ASCN2ASCN3AHCAR2CHRM2
SCHEMBL97126 0.77 HCAR2 (0.41) SCN1ASCN2ASCN3AHCAR2CHRM2
SCHEMBL9572884 0.76 RIPK1 (0.47) ALDH1A1FFAR1TAAR1
SCHEMBL9540374 0.76 ALDH1A1 (0.38) LMNAHTTCYP1A2ALDH1A1KDM4E
SCHEMBL854786 0.76 SCN1A (0.39) SCN1ASCN2ASCN3AHCAR2CHRM2
SCHEMBL96856 0.75 HCAR2 (0.40) SCN1ASCN2ASCN3AHCAR2CHRM2
SCHEMBL2701953 0.75 HTT (0.42) SCN1ASCN2ASCN3ACHRM2CHRM4
SCHEMBL14813926 0.74 KDM4E (0.41) SCN1ASCN2ASCN3AHCAR2CHRM2
SCHEMBL10652899 0.74 KCNA3 (0.50) LMNAALDH1A1KDM4EMAPK1TAAR1

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 12 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
CN-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN 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
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 SCN1A 2083/4885SCN2A 2170/4885SCN3A 3348/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 SCN1A 3959/4885SCN2A 4436/4885SCN3A 4558/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 SCN1A 3959/4885SCN2A 4436/4885SCN3A 4558/4885

“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.