SCHEMBL3106523

SCHEMBL3106523

CC(C)(O)COc1cccc(OCc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.63
CYP4F2 P78329 1/20 0.55
CYP4A11 Q02928 1/20 0.55
NR4A2 P43354 2/20 0.54
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
PDK3 Q15120 1/20 0.52
PDK4 Q16654 1/20 0.52
BCHE P06276 2/20 0.51
MAOA P21397 1/20 0.50
SPHK2 Q9NRA0 1/20 0.49
NR4A1 P22736 1/20 0.49
NR4A3 Q92570 1/20 0.49
SMPD1 P17405 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALOX5 P09917 1/20 0.49

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
SCHEMBL27038347 0.88 LMNA (0.61) MAOBNR4A2BCHEMAOANR4A1
SCHEMBL12250934 0.87 MAOB (0.67) MAOBCYP4F2CYP4A11NR4A2BCHE
SCHEMBL13097100 0.84 MAOB (0.59) MAOBCYP4F2CYP4A11NR4A2PDK1
SCHEMBL13097178 0.83 MAOB (0.58) MAOBCYP4F2CYP4A11NR4A2PDK1
SCHEMBL1268719 0.82 MAOB (0.81) MAOBCYP4F2CYP4A11NR4A2BCHE
SCHEMBL2380551 0.81 MAOB (0.59) MAOBCYP4F2CYP4A11NR4A2BCHE
SCHEMBL469975 0.81 CHRNB2 (0.54)
SCHEMBL28182081 0.81 MAOB (0.79) MAOBCYP4F2CYP4A11NR4A2BCHE
SCHEMBL9434943 0.81 MAOB (0.58) MAOBCYP4F2CYP4A11NR4A2PDK1
SCHEMBL97005 0.80 LMNA (0.47)

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 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.