SCHEMBL96428

SCHEMBL96428

[O]CC/C=C/Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.68
TOP1 P11387 1/20 0.56
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ARG2 P78540 1/20 0.47
KCNH2 Q12809 2/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GPR52 Q9Y2T5 2/20 0.36
CALM1 P0DP23 1/20 0.36
MAPK1 P28482 1/20 0.36
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH7 P40394 1/20 0.35
EPHX2 P34913 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
SCHEMBL96429 1.00 MAOB (0.68) MAOBTOP1CA1CA2ARG2
SCHEMBL96845 0.87 TOP1 (0.62) MAOBTOP1CA1CA2ARG2
SCHEMBL96844 0.87 TOP1 (0.62) MAOBTOP1CA1CA2ARG2
SCHEMBL97049 0.84 MAOB (0.65) MAOBTOP1CA1CA2ARG2
SCHEMBL155055 0.83 MAOB (1.00) MAOBTOP1CA1CA2ARG2
SCHEMBL155054 0.83 MAOB (1.00) MAOBTOP1CA1CA2ARG2
SCHEMBL1524697 0.83 MAOB (1.00) MAOBTOP1CA1CA2ARG2
SCHEMBL95418 0.82 GPR52 (0.53) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL95417 0.82 GPR52 (0.53) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL95468 0.81 MAOB (0.75) MAOBTOP1CA1CA2ARG2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569524-B2 Bis(tetrahydrofuran) compound, method for production of the compund, and use of the compound GLYTECH INC. (JP) 2013-10-29 US disclosed
EP-2123655-B1 BIS(TETRAHYDROFURAN) COMPOUND, METHOD FOR PRODUCTION OF THE COMPOUND, AND USE OF THE COMPOUND OTSUKA CHEMICAL CO LTD (JP) 2013-04-10 EP disclosed
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-20100105931-A1 BIS(TETRAHYDROFURAN) COMPOUND, METHOD FOR PRODUCTION OF THE COMPOUND, AND USE OF THE COMPOUND OTSUKA CHEMICAL CO., LTD. (JP) 2010-04-29 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2123655-A1 BIS(TETRAHYDROFURAN) COMPOUND, METHOD FOR PRODUCTION OF THE COMPOUND, AND USE OF THE COMPOUND Otsuka Chemical Co., Ltd. (JP) 2009-11-25 EP 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 (4 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 MAOB 2043/4885TOP1 1468/4885CA1 3276/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 MAOB 4538/4885TOP1 3013/4885CA1 2592/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 MAOB 4538/4885TOP1 3013/4885CA1 2592/4885
US-20100105931-A1 BIS(TETRAHYDROFURAN) COMPOUND, METHOD FOR PRODUCTION OF THE COMPOUND, AND USE OF THE COMPOUND BDNF, NGF, NTRK2 MAOB 54/4885TOP1 3691/4885CA1 2256/4885

“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.