SCHEMBL97981

SCHEMBL97981

CCOC(=O)C(C(=O)OCC)C(C)c1ccc(OC)c2[nH]c(=O)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 13/20 0.41
ADRB1 P08588 8/20 0.41
NQO2 P16083 3/20 0.39
KDM4E B2RXH2 4/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
DRD2 P14416 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS2 P35354 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP19A1 P11511 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL98476 0.80 ADRB2 (0.37) ADRB2ADRB1NQO2KDM4ETSHR
SCHEMBL738875 0.75 ADRB2 (0.41) ADRB2ADRB1NQO2KDM4ETSHR
SCHEMBL10642817 0.74 KMT2A (0.41) ADRB2ADRB1NQO2KDM4ETSHR
SCHEMBL11401085 0.74 NQO2 (0.53) ADRB2NQO2KDM4ETSHRMEN1
SCHEMBL96461 0.71 NQO2 (0.39) NQO2KDM4ETSHRMEN1LMNA
SCHEMBL739707 0.71 ADRB2 (0.40) ADRB2ADRB1NQO2KDM4EMEN1
SCHEMBL14438072 0.70 NQO2 (0.61) NQO2KDM4ETSHRMEN1LMNA
SCHEMBL5249820 0.70 ADRB2 (0.40) ADRB2ADRB1KDM4ETSHRMEN1
SCHEMBL10642411 0.70 KMT2A (0.47) ADRB2ADRB1MEN1CYP1A2CYP2C9
SCHEMBL739934 0.69 ADRB2 (0.43) ADRB2ADRB1NQO2DRD2CYP19A1

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 8 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-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 (2 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-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 ADRB2 1065/4885ADRB1 996/4885NQO2 2030/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 ADRB2 1065/4885ADRB1 996/4885NQO2 2030/4885

“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.