SCHEMBL5543912

SCHEMBL5543912

CC1(C)Oc2ccc(O)cc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
AKT1 P31749 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
PTGS2 P35354 2/20 0.42
IDO1 P14902 2/20 0.41
ESR1 P03372 3/20 0.41
ESR2 Q92731 2/20 0.41
MAOA P21397 1/20 0.41
UGT1A1 P22309 1/20 0.41
MAOB P27338 1/20 0.41
MALT1 Q9UDY8 1/20 0.40
JAK3 P52333 2/20 0.40
KMT2A Q03164 2/20 0.39
PTGS1 P23219 1/20 0.39
XDH P47989 1/20 0.39

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
SCHEMBL29804089 0.81 CA1 (0.43) MAPTCA1CA2CA7CA9
SCHEMBL23362956 0.81 CA1 (0.43) MAPTCA1CA2CA7CA9
SCHEMBL5543907 0.79 MAPT (0.37) MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL2433995 0.78 PPOX (0.41) MAPTALDH1A1KDM4EMAOB
SCHEMBL6992092 0.78 MAPT (0.50) MAPTALDH1A1KDM4EAKT1CA1
SCHEMBL2472619 0.76 MAPT (0.57) MAPTALDH1A1KDM4EAKT1IDO1
SCHEMBL11248793 0.76 MAPT (0.53) MAPTALDH1A1KDM4EAKT1CA1
SCHEMBL9063898 0.76 MAPT (0.49) MAPTALDH1A1KDM4EAKT1PTGS2
SCHEMBL10712890 0.74 MAPT (0.54) MAPTALDH1A1KDM4EAKT1CA1
SCHEMBL506797 0.74 CA12 (0.36) MAPTALDH1A1KDM4ECA1CA2

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 9 patents. 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-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-0863906-B1 HETEROCYCLIC DIOXETHANE SUBSTRATES, PROCESS FOR THEIR PREPARATION AND THEIR USE ROCHE DIAGNOSTICS GMBH (DE) 2003-02-12 EP disclosed
US-6107036-A Heterocyclic dioxethane substrates, process for their preparation and their use ROCHE DIAGNOSTICS GMBH (DE) 2000-08-22 US disclosed
EP-0863906-A2 HETEROCYCLIC DIOXETHANE SUBSTRATES, PROCESS FOR THEIR PREPARATION AND THEIR USE Roche Diagnostics GmbH (DE) 1998-09-16 EP disclosed
WO-1997014696-A2 HETEROCYCLIC DIOXETHANE SUBSTRATES, PROCESS FOR THEIR PREPARATION AND THEIR USE BOEHRINGER MANNHEIM GMBH (DE) 1997-04-24 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 (1 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 MAPT 4117/4885ALDH1A1 355/4885KDM4E 4854/4885

“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.