SCHEMBL13097258

SCHEMBL13097258

O=C1COCCN1c1cccc(OCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.55
ALDH1A1 P00352 1/20 0.54
DDB1 Q16531 1/20 0.53
CRBN Q96SW2 1/20 0.53
GRM5 P41594 1/20 0.52
PRKDC P78527 4/20 0.51
ALOX5 P09917 1/20 0.51
ATM Q13315 1/20 0.51
NAAA Q02083 2/20 0.49
MCHR1 Q99705 1/20 0.47
MAOB P27338 3/20 0.47
SNRNP200 O75643 1/20 0.46
BCHE P06276 1/20 0.46
LIPC P11150 1/20 0.46
ACHE P22303 1/20 0.46
LIPE Q05469 1/20 0.46
MAOA P21397 2/20 0.45

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
SCHEMBL13097458 0.89 DDB1 (0.57) F10ALDH1A1DDB1CRBNGRM5
SCHEMBL19086546 0.87 F10 (0.54) F10ALDH1A1DDB1CRBNPRKDC
SCHEMBL5737605 0.84 GRM5 (0.59) DDB1CRBNGRM5ALOX5NAAA
SCHEMBL3091096 0.83 MAPT (0.43) F10ALDH1A1DDB1CRBNGRM5
SCHEMBL13097411 0.81 GRM5 (0.56) ALDH1A1DDB1CRBNGRM5ALOX5
SCHEMBL13107121 0.80 MAP4K1 (0.48) ALDH1A1
SCHEMBL13097446 0.80 MAP4K1 (0.42) F10ALDH1A1DDB1CRBNGRM5
SCHEMBL13097167 0.80 GRM5 (0.54) ALDH1A1DDB1CRBNGRM5ALOX5
SCHEMBL1263059 0.79 AGXT (0.61) ALDH1A1GRM5PRKDCALOX5ATM
SCHEMBL13097418 0.79 CACNA2D1 (0.54) ALDH1A1DDB1CRBNGRM5ALOX5

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 F10 1624/4885ALDH1A1 524/4885DDB1 2911/4885

“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.