SCHEMBL5543335

SCHEMBL5543335

CCCCCCOC(=O)CCOc1cc[c]cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
PLA2G4B P0C869 3/20 0.50
NR5A1 Q13285 1/20 0.49
NAAA Q02083 1/20 0.49
DGKA P23743 1/20 0.49
RARB P10826 3/20 0.48
HTT P42858 1/20 0.48
HTR2C P28335 1/20 0.48
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL5541479 0.94 DGKA (0.53) TP53TSHRPLA2G4BNR5A1NAAA
SCHEMBL5542133 0.88 PLA2G4B (0.52) TP53TSHRPLA2G4BNR5A1NAAA
SCHEMBL4457893 0.84 LTA4H (0.48) TSHR
SCHEMBL77477 0.84 NR5A1 (0.60) TP53TSHRPLA2G4BNR5A1RARB
SCHEMBL338316 0.84 NR5A1 (0.60) TP53TSHRPLA2G4BNR5A1RARB
SCHEMBL988767 0.84 NR5A1 (0.60) TP53TSHRPLA2G4BNR5A1RARB
SCHEMBL263776 0.84 NR5A1 (0.60) TP53TSHRPLA2G4BNR5A1RARB
SCHEMBL9121701 0.84 NR5A1 (0.60) TP53TSHRPLA2G4BNR5A1RARB
SCHEMBL987954 0.84 NR5A1 (0.60) TP53TSHRPLA2G4BNR5A1RARB
SCHEMBL309133 0.84 NR5A1 (0.60) TP53TSHRPLA2G4BNR5A1RARB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2129148-A None JP disclosed
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
JP-H02129148-A CHIRAL COMPOUND, LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME AND DEVICE FOR LIQUID CRYSTAL DISPLAY DAINIPPON INK & CHEM INC 1990-05-17 JP 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 TP53 4494/4885TSHR 319/4885PLA2G4B 4650/4885

“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.