SCHEMBL4400542

SCHEMBL4400542

O=[C]OCC=CCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.58
TOP1 P11387 1/20 0.46
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ARG2 P78540 1/20 0.41
IDO1 P14902 1/20 0.34
KCNH2 Q12809 2/20 0.34
AGXT P21549 1/20 0.33
MAPK1 P28482 1/20 0.33
AOC3 Q16853 1/20 0.32
TSHR P16473 1/20 0.32
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH7 P40394 1/20 0.31
CALM1 P0DP23 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL4400539 1.00 MAOB (0.58) MAOBTOP1CA1CA2ARG2
SCHEMBL5543802 0.81 KCNH2 (0.39) MAOBIDO1KCNH2AGXT
SCHEMBL5539392 0.81 MAOB (0.54) MAOBTOP1CA1CA2ARG2
SCHEMBL5535337 0.81 GPR52 (0.45)
SCHEMBL5535334 0.81 GPR52 (0.45)
SCHEMBL5543799 0.81 KCNH2 (0.39) MAOBIDO1KCNH2AGXT
SCHEMBL5539395 0.81 MAOB (0.54) MAOBTOP1CA1CA2ARG2
SCHEMBL5541407 0.79 TOP1 (0.53) MAOBTOP1CA1CA2ARG2
SCHEMBL5541411 0.79 TOP1 (0.53) MAOBTOP1CA1CA2ARG2
SCHEMBL5513084 0.77 MAOB (0.71) 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-7405030-B2 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2008-07-29 US disclosed
EP-1930339-A2 Imide compound MITSUI CHEMICALS, INC. (JP) 2008-06-11 EP disclosed
US-20070259151-A1 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-11-08 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-7259260-B2 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-08-21 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
US-7094516-B2 Benzobisazole compound and optical recording medium containing the compound MITSUI CHEMICALS, INC. (JP) 2006-08-22 US disclosed
EP-1180765-B1 Optical recording medium and porphycene compound MITSUI CHEMICALS INC (JP) 2005-04-06 EP disclosed
EP-1484191-A1 REWRITABLE OPTICAL INFORMATION RECORDING MEDIUM AND RECORDING/REPRODUCING METHOD, RECORDING/REPRODUCING DEVICE Sony Corporation (JP) 2004-12-08 EP disclosed
EP-1445115-A1 IMIDE COMPOUNDS AND OPTICAL RECORDING MEDIA MADE BY USING THE SAME Mitsui Chemicals, Inc. (JP) 2004-08-11 EP disclosed
US-20030194646-A1 Mono-, di-, and triazaporphyrin compounds optionally in the form of a metal or metalloid complex MITSUI CHEMICALS, INC. (JP) 2003-10-16 US disclosed
US-6627288-B1 Optical recording medium and porphycene compound MITSUI CHEMICALS, INC. (JP) 2003-09-30 US disclosed
US-20030091931-A1 Benzbisazole compound and optical recording medium containing the compound MITSUI CHEMICALS, INC. (JP) 2003-05-15 US disclosed
EP-1262966-A2 Optical recording medium and novel azaporphyrin compound Mitsui Chemicals, Inc. (JP) 2002-12-04 EP disclosed
EP-1247655-A1 OPTICAL RECORDING MEDIUM AND NOVEL AZAPORPHYRIN COMPOUNDS Mitsui Chemicals, Inc. (JP) 2002-10-09 EP disclosed
EP-1245571-A1 BENZBISAZOLE COMPOUND AND OPTICAL RECORDING MEDIUM CONTAINING THE COMPOUND Mitsui Chemicals, Inc. (JP) 2002-10-02 EP disclosed
EP-1180765-A1 Optical recording medium and porphycene compound Mitsui Chemicals, Inc. (JP) 2002-02-20 EP 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 (2 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 MAOB 441/4885TOP1 3546/4885CA1 174/4885
US-20030091931-A1 Benzbisazole compound and optical recording medium containing the compound DAO, CACNA1I, KCNB2 MAOB 113/4885TOP1 3520/4885CA1 757/4885

“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.