SCHEMBL13097563

SCHEMBL13097563

COc1cc(OCc2[nH]c3ccccc3c(=O)c2C)cc(OCC2CCOCC2)c1

nearest known ligand 0.85

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.85
L3MBTL1 Q9Y468 1/20 0.40
ABCG2 Q9UNQ0 2/20 0.39
BRD4 O60885 1/20 0.36
CTSV O60911 2/20 0.36
CTSL P07711 2/20 0.36
SLC2A1 P11166 1/20 0.35
PDE9A O76083 1/20 0.35
FYN P06241 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL13097559 0.93 CYP2D6 (0.87) CYP2D6BRD4CTSVCTSLPDE9A
SCHEMBL13097564 0.92 CYP2D6 (0.85) CYP2D6BRD4CTSVCTSLPDE9A
SCHEMBL3101982 0.92 CYP2D6 (1.00) CYP2D6BRD4CTSVCTSLSLC2A1
SCHEMBL13097594 0.91 CYP2D6 (0.84) CYP2D6BRD4CTSVCTSLPDE9A
SCHEMBL13349902 0.91 CYP2D6 (0.84) CYP2D6BRD4CTSVCTSLPDE9A
SCHEMBL13097590 0.91 CYP2D6 (0.86) CYP2D6L3MBTL1ABCG2BRD4CTSV
SCHEMBL13097890 0.91 CYP2D6 (0.82) CYP2D6L3MBTL1BRD4CTSVCTSL
SCHEMBL13097622 0.90 CYP2D6 (0.84) CYP2D6BRD4CTSVCTSLPDE9A
SCHEMBL13097569 0.89 CYP2D6 (0.80) CYP2D6BRD4PDE9ARAB9A
SCHEMBL13097958 0.89 CYP2D6 (0.80) CYP2D6CTSVCTSLPDE9A

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 CYP2D6 230/4885L3MBTL1 2056/4885ABCG2 870/4885

“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.