SCHEMBL5543523

SCHEMBL5543523

CCCOC(=O)c1ccc(CCO[C]=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
ESR1 P03372 3/20 0.57
TSHR P16473 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
CHRM1 P11229 1/20 0.57
SLC6A2 P23975 1/20 0.57
KDR P35968 1/20 0.57
LMNA P02545 4/20 0.54
MAPT P10636 6/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 4/20 0.50
STS P08842 1/20 0.48
ESR2 Q92731 1/20 0.48
KMT2A Q03164 2/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 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
SCHEMBL5540294 0.89 CA1 (0.53) ALDH1A1ESR1TDP1LMNAMAPT
SCHEMBL5535661 0.84 ESR1 (0.57) ALDH1A1ESR1TSHRTDP1CHRM1
SCHEMBL10949603 0.84 ALDH1A1 (0.68) ALDH1A1ESR1TSHRTDP1CHRM1
SCHEMBL5538187 0.83 NPC1 (0.56) ALDH1A1ESR1TSHRLMNAMAPT
SCHEMBL5544367 0.83 CYP4A11 (0.58) ALDH1A1TSHRTDP1MAPTRAB9A
SCHEMBL5534620 0.82 MAPT (0.58) ALDH1A1ESR1TSHRLMNAMAPT
SCHEMBL10947673 0.81 ALDH1A1 (0.64) ALDH1A1ESR1TSHRTDP1CHRM1
SCHEMBL5537903 0.81 CA1 (0.50) ALDH1A1ESR1TDP1LMNAMAPT
SCHEMBL10952527 0.80 ALDH1A1 (0.72) ALDH1A1ESR1TSHRTDP1CHRM1
SCHEMBL49950 0.80 ALDH1A1 (0.84) ALDH1A1ESR1TSHRTDP1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN 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

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 355/4885ESR1 1578/4885TSHR 319/4885

“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.