SCHEMBL5540271

SCHEMBL5540271

COc1cc(OC)cc(O[CH]c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 3/20 0.50
TP53 P04637 2/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
USP2 O75604 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
TRPA1 O75762 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
TRPV1 Q8NER1 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP1A1 P04798 4/20 0.46
CYP1B1 Q16678 4/20 0.46
CA4 P22748 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 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
SCHEMBL5537641 0.88 CHRM5 (0.52) ALDH1A1KMT2ATRPA1MEN1CA4
SCHEMBL5546634 0.85 TRPA1 (0.63) ALDH1A1CYP3A4TP53HPGDMAPT
SCHEMBL5544479 0.81 TUBB4A (0.51) ALDH1A1CYP3A4TP53HPGDSMN1; SMN2
SCHEMBL1653548 0.80 TRPA1 (0.57) ALDH1A1CYP3A4TP53HPGDSMN1; SMN2
SCHEMBL5540388 0.79 NPSR1 (0.41) ALDH1A1CYP3A4TP53HPGDSMN1; SMN2
SCHEMBL536918 0.77 TSHR (0.43) ALDH1A1TRPA1CA4MAOAMAOB
3,5-O-Dimethylpinosylvin SCHEMBL918726 0.77 KDM4E (0.79) ALDH1A1CYP3A4TP53HPGDSMN1; SMN2
3,5-O-Dimethylpinosylvin SCHEMBL918727 0.77 KDM4E (0.79) ALDH1A1CYP3A4TP53HPGDSMN1; SMN2
SCHEMBL11810449 0.77 USP2 (0.56) ALDH1A1CYP3A4TP53HPGDSMN1; SMN2
3,5-O-Dimethylpinosylvin SCHEMBL9419809 0.77 KDM4E (0.79) ALDH1A1CYP3A4TP53HPGDSMN1; SMN2

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 355/4885CYP3A4 1683/4885TP53 4494/4885

“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.