SCHEMBL97086

SCHEMBL97086

CC(C)(COCc1ccccc1)OC=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
AR P10275 5/20 0.39
CA1 P00915 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
TACR1 P25103 1/20 0.38
PTPRB P23467 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL4889465 0.79 TSHR (0.50) TSHRKDM4EPOLBARCA1
SCHEMBL95877 0.78 SLC6A2 (0.47) TSHRALDH1A1NPSR1SMN1; SMN2TDP1
SCHEMBL18526730 0.76 KDM4E (0.53) TSHRKDM4EPOLBARCA1
SCHEMBL97085 0.76 TSHR (0.47) TSHRKDM4EPOLBCA1ALDH1A1
SCHEMBL20267477 0.76 TSHR (0.47) TSHRKDM4EPOLBARCA1
SCHEMBL28173813 0.76 TSHR (0.47) TSHRKDM4EPOLBARCA1
SCHEMBL95925 0.76 TSHR (0.56) TSHRKDM4EPOLBCA1ALDH1A1
SCHEMBL1691827 0.75 TSHR (0.61) TSHRKDM4EPOLBCA1ALDH1A1
SCHEMBL5252032 0.75 AOC3 (0.39) TDP1
SCHEMBL9521935 0.75 TSHR (0.45) TSHRKDM4EPOLBARCA1

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.