SCHEMBL3094940

SCHEMBL3094940

CCOC(=O)c1ccc(OCc2[nH]c3ccccc3c(=O)c2C)cc1OCC1CCOCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.71
KDM4E B2RXH2 5/20 0.42
NPC1 O15118 2/20 0.41
HSD17B10 Q99714 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
BRD4 O60885 1/20 0.37
DHFR P00374 1/20 0.37
RAB9A P51151 2/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAOB P27338 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL3099632 0.91 CYP2D6 (0.74) CYP2D6KDM4EHSD17B10MAPTLMNA
SCHEMBL3101852 0.87 CYP2D6 (0.69) CYP2D6KDM4ENPC1HSD17B10MAPT
SCHEMBL13097545 0.87 CYP2D6 (0.76) CYP2D6KDM4ENPC1HSD17B10MAPT
SCHEMBL13097965 0.86 CYP2D6 (0.67) CYP2D6KDM4EHSD17B10MAPTLMNA
SCHEMBL13097558 0.85 CYP2D6 (0.77) CYP2D6KDM4EHSD17B10MAPTLMNA
SCHEMBL13097590 0.84 CYP2D6 (0.86) CYP2D6KDM4EHSD17B10MAPTLMNA
SCHEMBL3101982 0.83 CYP2D6 (1.00) CYP2D6KDM4EHSD17B10MAPTLMNA
SCHEMBL3096589 0.83 CYP2D6 (0.67) CYP2D6KDM4ENPC1HSD17B10MAPT
SCHEMBL13097557 0.82 CYP2D6 (0.77) CYP2D6KDM4EHSD17B10MAPTLMNA
SCHEMBL13097564 0.82 CYP2D6 (0.85) CYP2D6KDM4EHSD17B10MAPTLMNA

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 8 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-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
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
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 1769/4885NPC1 581/4885

“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.