SCHEMBL5545965

SCHEMBL5545965

COc1ccc(C=CCO[C]=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.49
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 2/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
F3 P13726 2/20 0.47
TRPA1 O75762 1/20 0.47
RELA Q04206 1/20 0.47
THRB P10828 1/20 0.46
ATM Q13315 1/20 0.46
CYP1A2 P05177 3/20 0.46
ESR1 P03372 2/20 0.46
CYP1A1 P04798 2/20 0.46
CYP1B1 Q16678 2/20 0.46
ABL1 P00519 1/20 0.46
TTR P02766 1/20 0.46
ABCB1 P08183 1/20 0.46
ALOX5 P09917 1/20 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
SCHEMBL5545961 1.00 GSK3B (0.49) GSK3BALDH1A1CYP3A4KDM4ELMNA
SCHEMBL5543356 0.83 CYP1A1 (0.53) KDM4ECYP1A2ESR1CYP1A1CYP1B1
SCHEMBL5543357 0.83 CYP1A1 (0.53) KDM4ECYP1A2ESR1CYP1A1CYP1B1
SCHEMBL5536698 0.82 RELA (0.41) RELAALOX5PTGS2TUBB4ATUBB
SCHEMBL5536696 0.82 RELA (0.41) RELAALOX5PTGS2TUBB4ATUBB
SCHEMBL5543602 0.81 CHRM2 (0.56) RELACYP1A2CYP1A1CYP1B1CYP19A1
SCHEMBL5543605 0.81 CHRM2 (0.56) RELACYP1A2CYP1A1CYP1B1CYP19A1
SCHEMBL5548305 0.81 AHR (0.50) ALDH1A1KDM4ELMNATSHRCYP1A2
SCHEMBL6545108 0.80 KDM4E (0.57) GSK3BALDH1A1CYP3A4KDM4ELMNA
SCHEMBL17710972 0.80 KDM4E (0.57) GSK3BALDH1A1CYP3A4KDM4ELMNA

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 GSK3B 3260/4885ALDH1A1 355/4885CYP3A4 1683/4885

“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.