SCHEMBL13097686

SCHEMBL13097686

Cc1c(COc2cccc(OCCC3(O)CCC3)c2)[nH]c2ccccc2c1=O

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.68
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
MCL1 Q07820 7/20 0.38
NPSR1 Q6W5P4 3/20 0.38
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
IDE P14735 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
BCL2 P10415 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
XBP1 P17861 1/20 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
SCHEMBL13097972 0.98 CYP2D6 (0.68) CYP2D6CTSVCTSLMCL1NPSR1
SCHEMBL13097973 0.97 CYP2D6 (0.67) CYP2D6CTSVCTSLMCL1NPSR1
SCHEMBL13097970 0.96 CYP2D6 (0.70) CYP2D6CTSVCTSLMCL1NPSR1
SCHEMBL13097670 0.92 CYP2D6 (0.65) CYP2D6CTSVCTSLMCL1NPSR1
SCHEMBL13349928 0.87 CYP2D6 (0.66) CYP2D6CTSVCTSLMCL1NPSR1
SCHEMBL13097722 0.83 CYP2D6 (0.53) CYP2D6CTSVCTSLMCL1KDM4E
SCHEMBL13097720 0.81 CYP2D6 (0.47) CYP2D6KDM4EALDH1A1LMNAGAA
SCHEMBL3108591 0.81 CYP2D6 (0.53) CYP2D6CTSVCTSLMCL1KDM4E
SCHEMBL13097707 0.81 CYP2D6 (0.64) CYP2D6CTSVCTSLMCL1NPSR1
SCHEMBL13097528 0.81 CYP2D6 (1.00) CYP2D6CTSVCTSLMCL1KDM4E

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 4 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

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.