SCHEMBL3092408

SCHEMBL3092408

[CH2]c1ccccc1Oc1ccc(OC)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
HTT P42858 3/20 0.59
MAPK1 P28482 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
LTA4H P09960 3/20 0.56
LMNA P02545 2/20 0.55
GAA P10253 2/20 0.55
POLB P06746 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HPGD P15428 1/20 0.50
CA4 P22748 2/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46

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
SCHEMBL5540267 0.86 ALDH1A1 (0.47) ALDH1A1HTTMAPK1L3MBTL1LTA4H
SCHEMBL4266095 0.83 HTR2A (0.51) ALDH1A1HTTMAPK1L3MBTL1LMNA
SCHEMBL5537634 0.82 KDM4E (0.49) ALDH1A1HTTMAPK1L3MBTL1GAA
SCHEMBL95189 0.82 LTA4H (0.52) ALDH1A1HTTMAPK1L3MBTL1LTA4H
SCHEMBL2089820 0.81 ALDH1A1 (0.57) ALDH1A1HTTMAPK1L3MBTL1CYP1A2
SCHEMBL3755349 0.81 ALDH1A1 (0.49) ALDH1A1HTTMAPK1L3MBTL1LMNA
SCHEMBL14191209 0.80 ALDH1A1 (0.91) ALDH1A1HTTMAPK1L3MBTL1LTA4H
SCHEMBL27279963 0.80 LTA4H (0.50) ALDH1A1HTTMAPK1L3MBTL1LTA4H
SCHEMBL5546520 0.80 CA12 (0.57) ALDH1A1HTTMAPK1L3MBTL1LMNA
SCHEMBL5537524 0.80 CA12 (0.57) ALDH1A1HTTMAPK1L3MBTL1LMNA

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 6 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-20100234220-A1 Oxooxetanes as Fungicidal Agents BAYER CROPSCIENCE AG (DE) 2010-09-16 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-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 (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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ALDH1A1 355/4885HTT 4644/4885MAPK1 1392/4885
US-20100234220-A1 Oxooxetanes as Fungicidal Agents CYP51A1, PNPO, AOX1 ALDH1A1 950/4885HTT 2706/4885MAPK1 1136/4885

“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.