SCHEMBL13106295

SCHEMBL13106295

CCCCOc1c(C)c(COc2cccc(OCCC3(O)CCC3)c2)nc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 4/20 0.44
GPBAR1 Q8TDU6 3/20 0.44
CYSLTR2 Q9NS75 3/20 0.44
DHODH Q02127 1/20 0.41
CYP2D6 P10635 1/20 0.40
MAPT P10636 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
ALOX12 P18054 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PLA2G2A P14555 1/20 0.36
PLA2G4B P0C869 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 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
SCHEMBL13106542 0.92 GPBAR1 (0.42) CYSLTR1GPBAR1CYSLTR2DHODHCYP2D6
SCHEMBL13097251 0.90 MAOB (0.38) MAPTKMT2ATDP1SMN1; SMN2
SCHEMBL13349888 0.87 CYSLTR1 (0.55) CYSLTR1GPBAR1CYSLTR2DHODHCYP2D6
SCHEMBL13106415 0.86 CYSLTR2 (0.39) CYSLTR1CYSLTR2CYP2D6MAPTLMNA
SCHEMBL13107289 0.84 CYSLTR2 (0.41) CYSLTR1CYSLTR2CYP2D6MAPTLMNA
SCHEMBL13107136 0.84 ALDH1A1 (0.34) DHODHCYP2D6MAPTMEN1KMT2A
SCHEMBL13349923 0.83 GPBAR1 (0.40) CYSLTR1GPBAR1CYSLTR2DHODHCYP2D6
SCHEMBL13106608 0.82 GPBAR1 (0.41) CYSLTR1GPBAR1CYSLTR2DHODHCYP2D6
SCHEMBL13106235 0.82 GPBAR1 (0.46) CYSLTR1GPBAR1CYSLTR2DHODHCYP2D6
SCHEMBL13106245 0.82 GPBAR1 (0.49) CYSLTR1GPBAR1CYSLTR2DHODHCYP2D6

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 3 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
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 CYSLTR1 2160/4885GPBAR1 1262/4885CYSLTR2 2038/4885

“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.