SCHEMBL96989

SCHEMBL96989

CC=CC([O])Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.46
TAAR1 Q96RJ0 5/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
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
CYP1A2 P05177 1/20 0.42
SLC18A2 Q05940 1/20 0.41
ANPEP P15144 1/20 0.41
CYP2D6 P10635 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CTRB1 P17538 2/20 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
SCHEMBL96988 1.00 EPHX1 (0.46) EPHX1TAAR1MEN1KMT2ASLC6A2
SCHEMBL1069931 0.77 SIGMAR1 (0.50) EPHX1TAAR1MEN1KMT2ASLC6A2
SCHEMBL28641418 0.76 TAAR1 (0.46) EPHX1TAAR1MEN1KMT2ASLC6A2
SCHEMBL28580276 0.76 TAAR1 (0.46) EPHX1TAAR1MEN1KMT2ASLC6A2
SCHEMBL6239697 0.76 EPHX1 (0.57) EPHX1TAAR1MEN1KMT2ASLC6A2
SCHEMBL96990 0.75 EPHX1 (0.46) EPHX1TAAR1MEN1KMT2ASLC6A2
SCHEMBL10938377 0.75 EPHX1 (0.46) EPHX1TAAR1MEN1KMT2ASLC6A2
SCHEMBL5002819 0.75 EPHX1 (0.46) EPHX1TAAR1MEN1KMT2ASLC6A2
SCHEMBL15178123 0.75 EPHX1 (0.46) EPHX1TAAR1MEN1KMT2ASLC6A2
SCHEMBL27840694 0.75 EPHX1 (0.46) EPHX1TAAR1MEN1KMT2ASLC6A2

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 4476/4885TAAR1 3793/4885MEN1 4401/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 EPHX1 4541/4885TAAR1 2154/4885MEN1 3912/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 EPHX1 4541/4885TAAR1 2154/4885MEN1 3912/4885

“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.