SCHEMBL5542339

SCHEMBL5542339

COc1cc(CC[C]=O)cc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.48
ALDH1A1 P00352 2/20 0.46
CALM1 P0DP23 4/20 0.46
AKR1B1 P15121 1/20 0.46
DAO P14920 1/20 0.45
FGFR1 P11362 1/20 0.41
KDR P35968 1/20 0.41
PTGS2 P35354 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
CNR1 P21554 1/20 0.38
TSHR P16473 1/20 0.37
CYP1A1 P04798 2/20 0.37
CYP1B1 Q16678 2/20 0.37
PTPN1 P18031 1/20 0.37
NOS2 P35228 1/20 0.37

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
SCHEMBL910482 0.81 TAAR1 (0.61) DAO
SCHEMBL9491787 0.79 CYP19A1 (0.68) CYP19A1ALDH1A1CALM1AKR1B1DAO
SCHEMBL692698 0.79 TAAR1 (0.55) ALDH1A1CALM1TSHRCYP3A4
SCHEMBL2121275 0.78 ALDH1A1 (0.50) CYP19A1ALDH1A1CALM1AKR1B1DAO
SCHEMBL910637 0.76 HTR2A (0.58) CYP19A1PTGS2
SCHEMBL9825782 0.76 KDM4E (0.59) CYP19A1ALDH1A1AKR1B1PTGS2CYP1A2
SCHEMBL1847534 0.75 CYP19A1 (0.44) CYP19A1ALDH1A1CALM1AKR1B1DAO
SCHEMBL427550 0.73 CYP19A1 (0.55) CYP19A1ALDH1A1CALM1AKR1B1DAO
SCHEMBL226849 0.72 PTGS2 (0.46) CYP19A1ALDH1A1CALM1AKR1B1DAO
SCHEMBL11858548 0.72 PTGS2 (0.46) CYP19A1ALDH1A1CALM1AKR1B1DAO

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 CYP19A1 3120/4885ALDH1A1 355/4885CALM1 2859/4885

“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.