SCHEMBL13096892

SCHEMBL13096892

Oc1ccc(CCOc2cc(C(F)(F)F)ncn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 8/20 0.47
CA2 P00918 1/20 0.37
CHKA P35790 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
HTT P42858 2/20 0.35
LTA4H P09960 1/20 0.35
TYR P14679 1/20 0.35
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
PPARG P37231 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
SCHEMBL13106624 0.81 ELOVL1 (0.46) ELOVL1PTGESALOX5PPARG
SCHEMBL13096876 0.74 CA2 (0.42) ELOVL1CA2CHKA
SCHEMBL3091177 0.72 TDP1 (0.38) CA2CHKA
SCHEMBL13096878 0.69 CA2 (0.40) ELOVL1CA2CHKA
SCHEMBL23361197 0.68 PKM (0.50) CA2CHKAHTTPPARG
SCHEMBL13107248 0.68 CA2 (0.39) ELOVL1CA2CHKAPPARG
SCHEMBL29728885 0.66 CA2 (0.43) CA2CHKA
SCHEMBL27624350 0.65 ESR1 (0.56) CA2ESR1ESR2LTA4H
SCHEMBL27264896 0.63 CA2 (0.68) CA2CHKA
SCHEMBL21538385 0.63 L3MBTL1 (0.40) CA2CHKA

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 4 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-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

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 ELOVL1 772/4885CA2 2488/4885CHKA 2317/4885

“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.