SCHEMBL13096832

SCHEMBL13096832

COC(C)(C)CCOc1cccc(OCc2nc3ccccc3c(OCc3ccccc3)c2C)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.50
MAOB P27338 1/20 0.43
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 2/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
HTT P42858 2/20 0.37
TP53 P04637 1/20 0.37
NPC1 O15118 1/20 0.37
STAT3 P40763 1/20 0.37
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL13349913 0.89 CYP2D6 (0.49) CYP2D6MAPTSMN1; SMN2RAB9AGLA
SCHEMBL13097106 0.89 MAOB (0.41) CYP2D6MAOBMAPTSMN1; SMN2RAB9A
SCHEMBL13097261 0.89 CYP2D6 (0.43) CYP2D6MAPTSMN1; SMN2TDP1HTT
SCHEMBL13096970 0.87 MAOB (0.51) MAOBMAPTSMN1; SMN2RAB9AGLA
SCHEMBL13097181 0.86 MAOB (0.40) CYP2D6MAOBMAPTTDP1
SCHEMBL13096824 0.85 CYP2D6 (0.49) CYP2D6MAOBMAPTSMN1; SMN2RAB9A
SCHEMBL13096808 0.85 GPBAR1 (0.51) CYP2D6MAOBMAPTSMN1; SMN2KMT2A
SCHEMBL13097311 0.83 MAOB (0.39) CYP2D6MAOBMAPTSMN1; SMN2RAB9A
SCHEMBL13097298 0.83 CYP2D6 (0.38) CYP2D6MAOBMAPT
SCHEMBL13096805 0.83 APP (0.45) MAOBMAPTSMN1; SMN2RAB9AKMT2A

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 CYP2D6 230/4885MAOB 200/4885MAPT 4661/4885

“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.