SCHEMBL96747

SCHEMBL96747

CC(COC=O)COCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
CA1 P00915 4/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
TACR1 P25103 3/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SLC1A1 P43005 1/20 0.41
MAPK1 P28482 1/20 0.39
MMP9 P14780 1/20 0.39
MMP14 P50281 1/20 0.39

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
SCHEMBL14453899 0.86 TSHR (0.61) TSHRCA1CA2CA7CA9
SCHEMBL10467753 0.81 TSHR (0.47) TSHRCA1CA2CA7CA9
SCHEMBL7334524 0.81 TSHR (0.47) TSHRCA1CA2CA7CA9
SCHEMBL10467869 0.81 TSHR (0.47) TSHRCA1CA2CA7CA9
SCHEMBL98648 0.81 TAAR1 (0.49) KMT2AMEN1TAAR1
SCHEMBL27694653 0.80 CA1 (0.47) TSHRCA1CA2CA7CA9
SCHEMBL7863791 0.79 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL2960173 0.79 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL13002270 0.79 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL4545488 0.79 TSHR (0.52) TSHRCA1CA2CA7CA9

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 TSHR 3439/4885CA1 3276/4885CA2 823/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 TSHR 110/4885CA1 2592/4885CA2 254/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 TSHR 110/4885CA1 2592/4885CA2 254/4885

“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.