SCHEMBL3108591

SCHEMBL3108591

Cc1c(COc2ccc(CCC3(O)CCCC3)cc2)[nH]c2ccccc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.53
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
CAPN1 P07384 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MCL1 Q07820 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 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
SCHEMBL13097722 0.98 CYP2D6 (0.53) CYP2D6CTSVCTSLL3MBTL1ABCG2
SCHEMBL13097972 0.83 CYP2D6 (0.68) CYP2D6CTSVCTSLL3MBTL1KDM4E
SCHEMBL13097973 0.82 CYP2D6 (0.67) CYP2D6CTSVCTSLL3MBTL1KDM4E
SCHEMBL13097686 0.81 CYP2D6 (0.68) CYP2D6CTSVCTSLL3MBTL1KDM4E
SCHEMBL13097720 0.80 CYP2D6 (0.47) CYP2D6KDM4EALDH1A1SMN1; SMN2
SCHEMBL13097970 0.79 CYP2D6 (0.70) CYP2D6CTSVCTSLL3MBTL1KDM4E
SCHEMBL13097534 0.77 CYP2D6 (0.65) CYP2D6CTSVCTSLL3MBTL1ABCG2
SCHEMBL13097739 0.75 CYP2D6 (0.68) CYP2D6CTSVCTSLL3MBTL1ABCG2
SCHEMBL13097670 0.75 CYP2D6 (0.65) CYP2D6CTSVCTSLL3MBTL1KDM4E
SCHEMBL3106679 0.73 LTA4H (0.55)

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 8 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-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.