SCHEMBL13097707

SCHEMBL13097707

COC1(CCOc2cccc(OCc3[nH]c4ccccc4c(=O)c3C)c2)CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.64
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
ALOX5 P09917 5/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
MCL1 Q07820 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
SCHEMBL13097670 0.88 CYP2D6 (0.65) CYP2D6CTSVCTSLKDM4EMEN1
SCHEMBL13349929 0.86 CYP2D6 (0.63) CYP2D6CTSVCTSLALOX5KDM4E
SCHEMBL13097970 0.83 CYP2D6 (0.70) CYP2D6CTSVCTSLKDM4EMEN1
SCHEMBL13097972 0.81 CYP2D6 (0.68) CYP2D6CTSVCTSLKDM4EMEN1
SCHEMBL13097686 0.81 CYP2D6 (0.68) CYP2D6CTSVCTSLKDM4EMEN1
SCHEMBL13097579 0.80 CYP2D6 (0.67) CYP2D6KDM4EHTTALDH1A1
SCHEMBL13097586 0.80 CYP2D6 (0.82) CYP2D6CTSVCTSLKDM4ELMNA
SCHEMBL13097973 0.80 CYP2D6 (0.67) CYP2D6CTSVCTSLKDM4EMEN1
SCHEMBL13097603 0.80 CYP2D6 (0.81) CYP2D6CTSVCTSLKDM4ELMNA
SCHEMBL13349928 0.80 CYP2D6 (0.66) CYP2D6CTSVCTSLKDM4EMEN1

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 230/4885CTSV 1341/4885CTSL 1938/4885

“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.