SCHEMBL5544477

SCHEMBL5544477

[CH2]c1ccccc1Oc1c(OC)cc(OC)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA4 P22748 1/20 0.41
CYP1A2 P05177 7/20 0.41
CYP1A1 P04798 6/20 0.41
CYP1B1 Q16678 6/20 0.41
ABCB1 P08183 1/20 0.38
NQO1 P15559 1/20 0.37
TUBB4A P04350 3/20 0.37
TUBB P07437 3/20 0.37
TUBA3C P0DPH7 3/20 0.37
TUBA1B P68363 3/20 0.37

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
SCHEMBL5534722 0.85 CA1 (0.48) MAPK1ALDH1A1HTTL3MBTL1CA12
SCHEMBL5540267 0.83 ALDH1A1 (0.47) MAPK1ALDH1A1HTTL3MBTL1CA12
SCHEMBL5546520 0.81 CA12 (0.57) MAPK1ALDH1A1HTTL3MBTL1CA12
SCHEMBL5537524 0.81 CA12 (0.57) MAPK1ALDH1A1HTTL3MBTL1CA12
SCHEMBL2089820 0.79 ALDH1A1 (0.57) MAPK1ALDH1A1HTTL3MBTL1CA12
SCHEMBL3092408 0.77 ALDH1A1 (0.59) MAPK1ALDH1A1HTTL3MBTL1CA12
SCHEMBL5547842 0.77 CA1 (0.59) MAPK1ALDH1A1HTTL3MBTL1CA12
SCHEMBL5537634 0.76 KDM4E (0.49) MAPK1ALDH1A1HTTL3MBTL1CA1
SCHEMBL7 0.76
SCHEMBL5540145 0.74 CA1 (0.44) MAPK1ALDH1A1HTTL3MBTL1CA12

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 MAPK1 1392/4885ALDH1A1 355/4885HTT 4644/4885

“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.