SCHEMBL5538657

SCHEMBL5538657

C=CCCCc1ccccc1[O]

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.45
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.34
HDAC1 Q13547 2/20 0.33
EP300 Q09472 1/20 0.33
KAT2B Q92831 1/20 0.33
KAT5 Q92993 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
HDAC4 P56524 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL5539439 0.94 TDP1 (0.43) TLR8ALDH1A1TDP1USP2HPGD
SCHEMBL5543571 0.88 TLR8 (0.33) TLR8ALDH1A1TDP1USP2HPGD
SCHEMBL8076232 0.80 TLR8 (0.45) TLR8ALDH1A1TDP1USP2HPGD
SCHEMBL5370455 0.78 TLR8 (0.44) TLR8ALDH1A1TDP1USP2HPGD
SCHEMBL8077547 0.76 TLR8 (0.45) TLR8ALDH1A1TDP1USP2HPGD
SCHEMBL8063252 0.76 TSHR (0.50) TLR8ALDH1A1TDP1USP2HPGD
SCHEMBL8063273 0.76 TAAR1 (0.52) TLR8ALDH1A1TDP1USP2HPGD
SCHEMBL8076090 0.76 TAAR1 (0.50) TLR8ALDH1A1
SCHEMBL8062751 0.76 TAAR1 (0.50) TLR8ALDH1A1TDP1USP2HPGD
SCHEMBL8073132 0.76 TAAR1 (0.50) TLR8ALDH1A1TDP1USP2HPGD

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 TLR8 1198/4885ALDH1A1 355/4885TDP1 4666/4885

“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.