SCHEMBL469975

SCHEMBL469975

CC(C)(O)COc1cccc(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.54
CHRNA4 P43681 3/20 0.54
CHRNB4 P30926 4/20 0.50
CHRNA3 P32297 4/20 0.50
APP P05067 1/20 0.50
CYP3A4 P08684 2/20 0.47
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
DRD3 P35462 1/20 0.44
BRD4 O60885 1/20 0.43
CCL2 P13500 1/20 0.43
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 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
SCHEMBL9292096 0.86 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3APP
SCHEMBL15782887 0.83 ACHE (0.48) DRD2DRD4DRD3LMNA
SCHEMBL7291330 0.83 LMNA (0.54) APPLMNAMAPK1
SCHEMBL31173236 0.81 MAOB (0.51) ALDH1A1LMNAHSD17B10
SCHEMBL20347940 0.81 SOD1 (0.50) CYP3A4BRD4CCL2LMNA
SCHEMBL12519454 0.81 CYP3A4 (0.59) CHRNB2CHRNA4APPCYP3A4BRD4
SCHEMBL19384427 0.81 MAOB (0.51) ALDH1A1LMNAHSD17B10
SCHEMBL13097103 0.81 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3APP
SCHEMBL3106523 0.81 MAOB (0.63)
SCHEMBL4719177 0.81 APP (0.50) CHRNB2CHRNA4CHRNB4CHRNA3APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255100-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed
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
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO 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 1760/4885CHRNB4 2379/4885

“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.