SCHEMBL3096296

SCHEMBL3096296

Cc1c(COc2cccc(OCCC(C)(C)O)c2)[nH]c2ccccc2c1=O

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.79
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
MCL1 Q07820 7/20 0.41
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL13097656 0.95 CYP2D6 (0.79) CYP2D6CTSVCTSLMCL1
SCHEMBL13097710 0.92 CYP2D6 (0.71) CYP2D6CTSVCTSLMCL1HTT
SCHEMBL13097702 0.91 CYP2D6 (0.73) CYP2D6CTSVCTSLHTTL3MBTL1
SCHEMBL13097535 0.88 CYP2D6 (1.00) CYP2D6CTSVCTSLMCL1HTT
SCHEMBL13097648 0.88 CYP2D6 (0.62) CYP2D6CTSVCTSLMCL1HTT
SCHEMBL3108568 0.87 CYP2D6 (1.00) CYP2D6CTSVCTSLMCL1
SCHEMBL13097533 0.85 CYP2D6 (1.00) CYP2D6CTSVCTSLMCL1
SCHEMBL13097981 0.85 CYP2D6 (0.66) CYP2D6CTSVCTSLMCL1HTT
SCHEMBL13097528 0.84 CYP2D6 (1.00) CYP2D6CTSVCTSLMCL1HTT
SCHEMBL3098365 0.84 CYP2D6 (0.62) CYP2D6MCL1HTTL3MBTL1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US claimed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US claimed
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 EP claimed
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-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
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
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.