SCHEMBL5541505

SCHEMBL5541505

[CH2]CCC=CNCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.48
ADH1B P00325 2/20 0.48
ADH1C P00326 2/20 0.48
ADH1A P07327 2/20 0.48
ADH7 P40394 2/20 0.48
ADH4 P08319 1/20 0.48
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
PPARA Q07869 2/20 0.37
TSHR P16473 3/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EPHX2 P34913 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
SCHEMBL5541501 1.00 EPHX1 (0.48) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL5542600 0.92 ADH1B (0.43) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL5542595 0.92 ADH1B (0.43) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL5541157 0.88 ADH1B (0.43) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL5541160 0.88 ADH1B (0.43) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL8606380 0.86 ADH1B (0.42) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL8606378 0.86 ADH1B (0.42) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL28375811 0.85 ADH1B (0.54) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL29291022 0.85 ADH1B (0.54) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL22798926 0.85 ADH1B (0.54) EPHX1ADH1BADH1CADH1AADH7

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 EPHX1 4071/4885ADH1B 281/4885ADH1C 285/4885

“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.