SCHEMBL13096891

SCHEMBL13096891

FC(F)(F)c1cc(OCCc2ccc(OCc3ccccc3)cc2)ncn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.45
EPHX2 P34913 2/20 0.45
FFAR1 O14842 3/20 0.44
F2 P00734 1/20 0.43
KCNH2 Q12809 1/20 0.43
GRIN2B Q13224 1/20 0.43
FFAR4 Q5NUL3 2/20 0.43
MMP13 P45452 1/20 0.43
MAOB P27338 2/20 0.43
BCHE P06276 1/20 0.42
ELOVL1 Q9BW60 1/20 0.41

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
SCHEMBL13096894 0.84 EGFR (0.38) LTA4HEPHX2FFAR1MMP13BCHE
SCHEMBL13106624 0.82 ELOVL1 (0.46) ELOVL1
SCHEMBL13096892 0.82 ELOVL1 (0.47) LTA4HELOVL1
SCHEMBL3091177 0.80 TDP1 (0.38)
SCHEMBL13097551 0.77 CYP2D6 (0.53) LTA4HEPHX2ELOVL1
SCHEMBL21538309 0.70 GABRG2 (0.41)
SCHEMBL20319007 0.70 HTT (0.42) MAOB
SCHEMBL13531399 0.70 CYP1A2 (0.55) LTA4HMAOBBCHE
SCHEMBL16976018 0.68 MAOB (0.64) LTA4HEPHX2FFAR1FFAR4MAOB
SCHEMBL4407617 0.68 ENPP2 (0.62) LTA4HEPHX2FFAR1FFAR4MAOB

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 LTA4H 421/4885EPHX2 640/4885FFAR1 1105/4885

“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.