SCHEMBL13097103

SCHEMBL13097103

CC(C)(O)CCOc1cccc(O)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.60
CHRNA4 P43681 2/20 0.60
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
DRD3 P35462 1/20 0.49
APP P05067 1/20 0.47
CYP3A4 P08684 1/20 0.44
CHRNB4 P30926 4/20 0.44
CHRNA3 P32297 4/20 0.44
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
VDR P11473 1/20 0.41

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
SCHEMBL13097179 0.91 CHRNB2 (0.58) CHRNB2CHRNA4DRD2DRD4ADRA1D
SCHEMBL5835231 0.84 FDPS (0.51) DRD2DRD4DRD3
SCHEMBL6240987 0.84 MAPK1 (0.54) CYP3A4MTNR1AMTNR1B
SCHEMBL12745449 0.84 CHRNB2 (0.58) CHRNB2CHRNA4DRD2DRD4ADRA1D
SCHEMBL4849414 0.83 KDM4E (0.52)
SCHEMBL13096830 0.83 CHRNB2 (0.57) CHRNB2CHRNA4DRD2DRD4ADRA1D
SCHEMBL13349896 0.83 PLA2G4B (0.49)
SCHEMBL1470185 0.82 CHRNB2 (0.69) CHRNB2CHRNA4DRD2DRD4ADRA1D
SCHEMBL29510932 0.82 CHRNB2 (0.69) CHRNB2CHRNA4DRD2DRD4ADRA1D
SCHEMBL13097100 0.82 MAOB (0.59) DRD2DRD4ADRA1DADRA1AADRA1B

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
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 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-20100256113-A1 QUINOLONE DERIVATIVE NQO1, NQO2, NADK CHRNB2 3048/4885CHRNA4 1760/4885DRD2 3106/4885

“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.