SCHEMBL13097545

SCHEMBL13097545

CCOC(=O)c1cc(OCc2[nH]c3ccccc3c(=O)c2C)cc(OCC2CCOCC2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.76
KDM4E B2RXH2 6/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HCRTR1 O43613 1/20 0.41
RAB9A P51151 1/20 0.41
NPC1 O15118 3/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 2/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
PDE5A O76074 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 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
SCHEMBL13097958 0.91 CYP2D6 (0.80) CYP2D6KDM4EMAPTALDH1A1MEN1
SCHEMBL13097569 0.91 CYP2D6 (0.80) CYP2D6KDM4EMAPTRAB9ALMNA
SCHEMBL13097567 0.90 CYP2D6 (0.78) CYP2D6KDM4EMAPTLMNAHSD17B10
SCHEMBL13097564 0.89 CYP2D6 (0.85) CYP2D6KDM4EMAPTLMNAHSD17B10
SCHEMBL13097559 0.88 CYP2D6 (0.87) CYP2D6KDM4EMAPTLMNAHSD17B10
SCHEMBL13097581 0.87 CYP2D6 (0.72) CYP2D6KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL13097890 0.87 CYP2D6 (0.82) CYP2D6
SCHEMBL3094940 0.87 CYP2D6 (0.71) CYP2D6KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL13097563 0.87 CYP2D6 (0.85) CYP2D6RAB9ANPC1
SCHEMBL3101982 0.86 CYP2D6 (1.00) CYP2D6KDM4EMAPTLMNAHSD17B10

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 5 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
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 230/4885KDM4E 1769/4885MAPT 4661/4885

“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.