SCHEMBL13097569

SCHEMBL13097569

CC(=O)c1cc(OCc2[nH]c3ccccc3c(=O)c2C)cc(OCC2CCOCC2)c1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.80
RAB9A P51151 1/20 0.37
ATXN2 Q99700 1/20 0.36
P2RX3 P56373 5/20 0.36
P2RX2 Q9UBL9 5/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
PDE9A O76083 1/20 0.35
GRM5 P41594 1/20 0.35
BRD4 O60885 1/20 0.34

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
SCHEMBL13097958 0.93 CYP2D6 (0.80) CYP2D6ATXN2P2RX3P2RX2KDM4E
SCHEMBL13097567 0.92 CYP2D6 (0.78) CYP2D6ATXN2P2RX3P2RX2KDM4E
SCHEMBL13097564 0.91 CYP2D6 (0.85) CYP2D6KDM4ELMNAMAPTHPGD
SCHEMBL13097545 0.91 CYP2D6 (0.76) CYP2D6RAB9AKDM4ELMNAMAPT
SCHEMBL13097559 0.90 CYP2D6 (0.87) CYP2D6KDM4ELMNAMAPTHPGD
SCHEMBL13097890 0.89 CYP2D6 (0.82) CYP2D6PDE9ABRD4
SCHEMBL13097563 0.89 CYP2D6 (0.85) CYP2D6RAB9APDE9ABRD4
SCHEMBL3101982 0.89 CYP2D6 (1.00) CYP2D6KDM4ELMNAMAPTHPGD
SCHEMBL13349902 0.88 CYP2D6 (0.84) CYP2D6KDM4ELMNAMAPTHPGD
SCHEMBL13097594 0.88 CYP2D6 (0.84) CYP2D6KDM4ELMNAMAPTHPGD

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 230/4885RAB9A 2422/4885ATXN2 2924/4885

“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.