SCHEMBL96990

SCHEMBL96990

CC=CC(O)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
TRPA1 O75762 3/20 0.46
TAAR1 Q96RJ0 5/20 0.43
SLC6A2 P23975 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
MAOA P21397 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CYP2A6 P11509 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
SLC15A1 P46059 1/20 0.42
CYP1A2 P05177 1/20 0.42
CSNK1E P49674 1/20 0.41
SLC18A2 Q05940 1/20 0.41
ANPEP P15144 1/20 0.41
CYP2D6 P10635 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL15178123 1.00 EPHX1 (0.46) EPHX1TRPA1TAAR1SLC6A2SIGMAR1
SCHEMBL11241375 0.89 FFAR1 (0.46) CYP1A2CYP2D6
SCHEMBL28009633 0.83 TRPA1 (0.48) EPHX1TRPA1TAAR1SLC6A2SIGMAR1
SCHEMBL11002207 0.82 TRPA1 (0.48) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL11002241 0.82 TRPA1 (0.48) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL12549185 0.80 ANPEP (0.44) SLC6A2SLC6A4SLC6A3CYP1A2ANPEP
SCHEMBL15180672 0.80 ANPEP (0.44) SLC6A2SLC6A4SLC6A3CYP1A2ANPEP
SCHEMBL31303674 0.80 ANPEP (0.44) SLC6A2SLC6A4SLC6A3CYP1A2ANPEP
SCHEMBL13849330 0.80 TRPA1 (0.47) EPHX1TRPA1TAAR1SLC6A2SIGMAR1
SCHEMBL14402706 0.80 TRPA1 (0.47) EPHX1TRPA1TAAR1SLC6A2SIGMAR1

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 11 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
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 EPHX1 4476/4885TRPA1 3607/4885TAAR1 3793/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 EPHX1 4541/4885TRPA1 1926/4885TAAR1 2154/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 EPHX1 4541/4885TRPA1 1926/4885TAAR1 2154/4885

“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.