SCHEMBL5543691

SCHEMBL5543691

O=COCCCCCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.59
BCHE P06276 4/20 0.58
LTA4H P09960 1/20 0.57
EPHX2 P34913 1/20 0.57
FFAR1 O14842 2/20 0.54
FFAR4 Q5NUL3 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
S1PR1 P21453 3/20 0.52
S1PR3 Q99500 1/20 0.52
S1PR5 Q9H228 1/20 0.52

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
SCHEMBL5543659 1.00 MGLL (0.59) MGLLBCHELTA4HEPHX2FFAR1
SCHEMBL5543708 0.99 BCHE (0.59) MGLLBCHELTA4HEPHX2FFAR1
SCHEMBL5542417 0.94 LTA4H (0.60) MGLLBCHELTA4HEPHX2FFAR1
SCHEMBL5534673 0.93 FFAR1 (0.61) MGLLFFAR1S1PR1S1PR3S1PR5
SCHEMBL5545861 0.93 FFAR1 (0.61) MGLLFFAR1S1PR1S1PR3S1PR5
SCHEMBL5542304 0.93 FFAR1 (0.61) MGLLFFAR1S1PR1S1PR3S1PR5
SCHEMBL5536395 0.88 FFAR1 (0.60) MGLLBCHELTA4HEPHX2FFAR1
SCHEMBL5543897 0.88 FFAR1 (0.58) BCHELTA4HEPHX2FFAR1FFAR4
SCHEMBL96962 0.86 SIGMAR1 (0.52) FFAR1S1PR1S1PR3S1PR5
SCHEMBL97332 0.86 SIGMAR1 (0.52) FFAR1S1PR1S1PR3S1PR5

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 5 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

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 MGLL 4717/4885BCHE 4833/4885LTA4H 3452/4885

“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.