SCHEMBL13097181

SCHEMBL13097181

Cc1c(COc2cccc(OCCCC(C)(C)O)c2)nc2ccccc2c1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
CYP2D6 P10635 1/20 0.38
GPBAR1 Q8TDU6 2/20 0.38
CYSLTR2 Q9NS75 2/20 0.38
CYSLTR1 Q9Y271 2/20 0.38
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL13097106 0.95 MAOB (0.41) MAOBCYP2D6MAPTTDP1KDR
SCHEMBL13106279 0.90 CYSLTR1 (0.47) CYP2D6GPBAR1CYSLTR2CYSLTR1MAPT
SCHEMBL13097182 0.90 DHODH (0.41) MAOBCYP2D6
SCHEMBL13096824 0.89 CYP2D6 (0.49) MAOBCYP2D6GPBAR1CYSLTR2CYSLTR1
SCHEMBL13097266 0.89 CYP2D6 (0.49) CYP2D6MAPTTDP1
SCHEMBL13096970 0.87 MAOB (0.51) MAOBMAPTTDP1
SCHEMBL13097311 0.87 MAOB (0.39) MAOBCYP2D6MAPTTDP1
SCHEMBL13097278 0.87 CYP2D6 (0.37) MAOBCYP2D6MAPTTDP1
SCHEMBL13096808 0.87 GPBAR1 (0.51) MAOBCYP2D6GPBAR1CYSLTR2CYSLTR1
SCHEMBL13096832 0.86 CYP2D6 (0.50) MAOBCYP2D6MAPTTDP1

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 200/4885CYP2D6 230/4885GPBAR1 1262/4885

“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.