SCHEMBL5535502

SCHEMBL5535502

O=[C]OCCCc1ccccc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.59
DRD2 P14416 4/20 0.59
PTGER1 P34995 3/20 0.56
PTGER4 P35408 3/20 0.56
PTGER3 P43115 3/20 0.56
PTGER2 P43116 3/20 0.56
MGLL Q99685 1/20 0.56
ABCB1 P08183 7/20 0.51
GAA P10253 2/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
FOLH1 Q04609 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
BLM P54132 1/20 0.43

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
SCHEMBL5547640 0.91 HTR1A (0.63) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL5544426 0.83 HTR1A (0.59) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL17197391 0.82 HTR1A (0.79) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL5547262 0.81 HTR1A (0.49) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL8326278 0.81 PTGER4 (0.68) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL5535507 0.79 HTR1A (0.59) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL9057460 0.79 HTR1A (0.79) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL5543939 0.79 HTR1A (0.50) HTR1ADRD2PTGER1PTGER4PTGER3
Benzene SCHEMBL8678010 0.78 HTR1A (0.58) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL9277698 0.78 HTR1A (0.71) HTR1ADRD2PTGER1PTGER4PTGER3

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 HTR1A 4141/4885DRD2 542/4885PTGER1 3314/4885

“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.