SCHEMBL13097334

SCHEMBL13097334

Cc1c(COc2ccc(CCC3(O)CCC3)cc2)nc2ccccc2c1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
CHEK2 O96017 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
ROS1 P08922 1/20 0.37
FLT3 P36888 1/20 0.37
ERBB4 Q15303 1/20 0.37
AURKB Q96GD4 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
ADAM17 P78536 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL3099594 0.98 CYSLTR2 (0.42) CYSLTR2CYSLTR1LTA4HEPHX2HRH3
SCHEMBL13106415 0.91 CYSLTR2 (0.39) CYSLTR2CYSLTR1FFAR1BCHEACHE
SCHEMBL13107289 0.89 CYSLTR2 (0.41) CYSLTR2CYSLTR1FFAR1BCHEACHE
SCHEMBL13097251 0.85 MAOB (0.38) ADAM17MAPT
SCHEMBL13097340 0.81 MAPT (0.36) ADAM17MAPT
SCHEMBL3096144 0.81 LTA4H (0.55) LTA4HEPHX2HRH3FFAR1FFAR4
SCHEMBL3106679 0.79 LTA4H (0.55) LTA4HEPHX2HRH3FFAR1FFAR4
SCHEMBL13096828 0.78 BCHE (0.45) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL13097206 0.77 ALOX5 (0.39)
SCHEMBL13106295 0.77 CYSLTR1 (0.44) CYSLTR2CYSLTR1LMNAMAPT

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 2 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-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 CYSLTR2 2038/4885CYSLTR1 2160/4885LTA4H 421/4885

“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.