SCHEMBL97085

SCHEMBL97085

CC(C)(COCc1ccccc1)O[C]=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 4/20 0.38
TACR1 P25103 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CA1 P00915 2/20 0.37
IDO1 P14902 1/20 0.35
PTPRB P23467 1/20 0.35
CTSS P25774 1/20 0.35
HMGCR P04035 1/20 0.35
NAAA Q02083 1/20 0.35
PPARA Q07869 1/20 0.35
AGXT P21549 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL9982526 0.83 TSHR (0.44) TSHRKDM4EPOLBALDH1A1SMN1; SMN2
SCHEMBL95876 0.78 SLC6A2 (0.47) ALDH1A1SMN1; SMN2PPARA
SCHEMBL97086 0.76 TSHR (0.47) TSHRKDM4EPOLBALDH1A1TACR1
SCHEMBL95925 0.76 TSHR (0.56) TSHRKDM4EPOLBALDH1A1TACR1
SCHEMBL1691827 0.75 TSHR (0.61) TSHRKDM4EPOLBALDH1A1TACR1
SCHEMBL4980093 0.75 ALDH1A1 (0.37) POLBALDH1A1L3MBTL1
SCHEMBL28386404 0.75 ALDH1A1 (0.40) TSHRALDH1A1SMN1; SMN2L3MBTL1CA1
SCHEMBL5252028 0.75 KCNA3 (0.39) ALDH1A1PPARA
SCHEMBL8654705 0.75 TSHR (0.45) TSHRKDM4EPOLBALDH1A1TACR1
SCHEMBL5764920 0.74 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2L3MBTL1

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 7 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

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 3439/4885KDM4E 1125/4885POLB 1340/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 TSHR 110/4885KDM4E 3919/4885POLB 4329/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 TSHR 110/4885KDM4E 3919/4885POLB 4329/4885

“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.