SCHEMBL96729

SCHEMBL96729

O=CCCCC=CCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.61
MAOB P27338 1/20 0.60
TRPV1 Q8NER1 3/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ARG2 P78540 1/20 0.42
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH7 P40394 1/20 0.41
HIF1A Q16665 1/20 0.40
KCNH2 Q12809 2/20 0.38
FAAH O00519 5/20 0.38
EPHX2 P34913 5/20 0.36
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL97049 0.88 MAOB (0.65) TOP1MAOBCA1CA2ARG2
SCHEMBL96845 0.82 TOP1 (0.62) TOP1MAOBCA1CA2ARG2
SCHEMBL96844 0.82 TOP1 (0.62) TOP1MAOBCA1CA2ARG2
SCHEMBL97224 0.81 KCNH2 (0.43) TOP1MAOBTRPV1HIF1AKCNH2
SCHEMBL95602 0.79 MAOB (0.71) TOP1MAOBCA1CA2ARG2
SCHEMBL27428172 0.79 MAOB (0.71) TOP1MAOBCA1CA2ARG2
SCHEMBL24768674 0.78 MAOB (0.62) TOP1MAOBCA1CA2ARG2
SCHEMBL3288071 0.78 MAOB (0.62) TOP1MAOBCA1CA2ARG2
SCHEMBL19031833 0.78 MAOB (0.62) TOP1MAOBCA1CA2ARG2
SCHEMBL28645454 0.78 MAOB (0.62) TOP1MAOBTRPV1CA1CA2

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 14 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
CN-101068810-B Carbostyril compound OTSUKA PHARMA CO LTD 2011-02-09 CN 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
CN-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN 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
CN-101068810-A Carbostyril compound OTSUKA PHARMA CO LTD (JP) 2007-11-07 CN 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 TOP1 1468/4885MAOB 2043/4885TRPV1 3946/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 TOP1 3013/4885MAOB 4538/4885TRPV1 1394/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 TOP1 3013/4885MAOB 4538/4885TRPV1 1394/4885

“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.