SCHEMBL5542469

SCHEMBL5542469

CC(C)Oc1ccccc1O[CH]c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
ACHE P22303 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
NISCH Q9Y2I1 2/20 0.38
ADRA2A P08913 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
TRPA1 O75762 1/20 0.35
NFE2L2 Q16236 1/20 0.35

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
SCHEMBL2069775 0.78 ALDH1A1 (0.57) ALDH1A1ACHEIRAK4KDM4ELMNA
SCHEMBL29591819 0.78 ALDH1A1 (0.57) ALDH1A1ACHEIRAK4KDM4ELMNA
SCHEMBL5547846 0.78 CA1 (0.56) ALDH1A1TDP1ADRA2BKMT2ACYP1A2
SCHEMBL7054838 0.78 ALDH1A1 (0.46) ALDH1A1ACHEIRAK4KDM4ELMNA
SCHEMBL5539808 0.77 ALDH1A3 (0.50) ALDH1A1LMNAKMT2ACYP1A2CYP2C9
SCHEMBL3635475 0.76 ALDH1A1 (0.49) ALDH1A1ACHEIRAK4KDM4ELMNA
SCHEMBL5535600 0.74 SCN4A (0.42) ALDH1A1ACHEKDM4ETDP1KMT2A
SCHEMBL28851801 0.72 ALDH1A1 (0.52) ALDH1A1ACHEIRAK4KDM4ELMNA
SCHEMBL28781436 0.72 NFE2L2 (0.65) CYP1A2TRPA1NFE2L2
SCHEMBL2462906 0.70 HTR2A (0.38) ALDH1A1LMNACYP2C9CYP2C19TRPA1

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 ALDH1A1 355/4885ACHE 4670/4885IRAK4 910/4885

“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.