SCHEMBL5541870

SCHEMBL5541870

O=COCCc1cccc(OCCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.52
MAOA P21397 7/20 0.48
MAOB P27338 7/20 0.48
KCNH2 Q12809 1/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
BCHE P06276 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
GAA P10253 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL5536456 0.89 FFAR1 (0.58) FFAR1MAOAMAOBCYP4F2CYP4A11
SCHEMBL5536016 0.89 CYP4F2 (0.60) FFAR1MAOAMAOBCYP4F2CYP4A11
SCHEMBL5544334 0.85 MGLL (0.49) FFAR1MAOAMAOBBCHESIRT2
SCHEMBL5535271 0.85 FFAR1 (0.61) FFAR1MAOAMAOBNPC1RAB9A
Benzene SCHEMBL28219713 0.83 CA1 (0.48) FFAR1NPC1RAB9AGAACA1
SCHEMBL26583 0.83 CA1 (0.48) FFAR1NPC1RAB9AGAACA1
SCHEMBL5545618 0.82 BCHE (0.51) FFAR1MAOAMAOBCYP4F2CYP4A11
SCHEMBL17912866 0.81 NPC1 (0.60) FFAR1MAOAMAOBNPC1RAB9A
Ammonia Solution, Strong SCHEMBL27697032 0.81 CA1 (0.47) FFAR1NPC1RAB9AGAACA12
SCHEMBL5543442 0.81 BCHE (0.50) FFAR1MAOAMAOBCYP4F2CYP4A11

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 FFAR1 105/4885MAOA 2885/4885MAOB 2140/4885

“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.