SCHEMBL3094863

SCHEMBL3094863

COCCc1ccc(OCCCCOCc2[nH]c3ccccc3c(=O)c2C)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.57
MCL1 Q07820 6/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
CTSV O60911 2/20 0.39
CTSL P07711 2/20 0.39
CAPN1 P07384 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL13097508 0.87 CYP2D6 (0.66) CYP2D6MCL1CTSVCTSL
SCHEMBL13349850 0.85 CYP2D6 (0.61) CYP2D6MCL1ABCG2CTSVCTSL
SCHEMBL13097510 0.85 CYP2D6 (0.61) CYP2D6MCL1CTSVCTSLHCAR2
SCHEMBL3092224 0.83 CYP2D6 (0.59) CYP2D6MCL1CTSVCTSLL3MBTL1
SCHEMBL13097534 0.81 CYP2D6 (0.65) CYP2D6MCL1ABCG2CTSVCTSL
SCHEMBL13097555 0.79 CYP2D6 (0.67) CYP2D6CTSVCTSL
SCHEMBL13097506 0.79 CYP2D6 (0.55) CYP2D6TDP1
SCHEMBL13097496 0.79 CYP2D6 (0.64) CYP2D6CTSVCTSL
SCHEMBL13097503 0.78 CYP2D6 (0.58) CYP2D6
SCHEMBL13097468 0.78 CYP2D6 (0.48) CYP2D6ABCG2

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 230/4885MCL1 3783/4885ABCG2 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.