SCHEMBL13097496

SCHEMBL13097496

CCCCCCCOCc1[nH]c2ccccc2c(=O)c1C

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.64
HTT P42858 1/20 0.46
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 4/20 0.45
HPGD P15428 3/20 0.45
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 1/20 0.43
OXER1 Q8TDS5 1/20 0.40

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
SCHEMBL13097555 0.92 CYP2D6 (0.67) CYP2D6HTTKDM4EALDH1A1HSD17B10
SCHEMBL13097582 0.89 CYP2D6 (0.54) CYP2D6HTTKDM4EALDH1A1HSD17B10
SCHEMBL13097506 0.87 CYP2D6 (0.55) CYP2D6HTTKDM4EALDH1A1HPGD
SCHEMBL13097539 0.86 CYP2D6 (0.52) CYP2D6HTTKDM4EALDH1A1HSD17B10
SCHEMBL13097508 0.86 CYP2D6 (0.66) CYP2D6HTTCTSVCTSL
SCHEMBL13097516 0.85 CYP2D6 (0.53) CYP2D6HTTKDM4EALDH1A1HSD17B10
SCHEMBL13097524 0.85 CYP2D6 (0.53) CYP2D6HTTKDM4EALDH1A1HSD17B10
SCHEMBL13097523 0.85 CYP2D6 (0.53) CYP2D6HTTKDM4EALDH1A1HSD17B10
SCHEMBL13097501 0.84 CYP2D6 (0.56) CYP2D6HTTKDM4EALDH1A1HSD17B10
SCHEMBL13097515 0.83 CYP2D6 (0.64) CYP2D6HTTKDM4EALDH1A1HSD17B10

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 230/4885HTT 4209/4885KDM4E 1769/4885

“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.