SCHEMBL13097100

SCHEMBL13097100

CC(C)(O)CCOc1cccc(OCc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.59
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53
NR4A2 P43354 2/20 0.51
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 1/20 0.50
PDK4 Q16654 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
BCHE P06276 2/20 0.49
MAOA P21397 1/20 0.48
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47

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
SCHEMBL13097178 0.93 MAOB (0.58) MAOBCYP4F2CYP4A11NR4A2PDK1
SCHEMBL13097304 0.87 MAOB (0.51) MAOB
SCHEMBL3106523 0.84 MAOB (0.63) MAOBCYP4F2CYP4A11NR4A2PDK1
SCHEMBL13097103 0.82 CHRNB2 (0.60) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL8095513 0.82 KCNA3 (0.54) ALDH1A1PKM
SCHEMBL13097106 0.81 MAOB (0.41) MAOBPDK1PDK2PDK3PDK4
SCHEMBL6240987 0.81 MAPK1 (0.54) MAOBKDM4EALDH1A1
SCHEMBL1268719 0.80 MAOB (0.81) MAOBCYP4F2CYP4A11NR4A2BCHE
SCHEMBL13349896 0.80 PLA2G4B (0.49)
SCHEMBL4763643 0.79 CYP4F2 (0.70) MAOBCYP4F2CYP4A11NR4A2ALDH1A1

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 2 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-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US 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 MAOB 200/4885CYP4F2 333/4885CYP4A11 91/4885

“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.