SCHEMBL13097253

SCHEMBL13097253

OCc1cc(OCC2CCOCC2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.41
▸ CYP2C9 P11712 2/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ LNPEP Q9UIQ6 1/20 0.39
▸ GRM4 Q14833 9/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ CYP2D6 P10635 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ ACACB O00763 1/20 0.37
▸ XDH P47989 1/20 0.37
▸ DHFR P00374 1/20 0.36
▸ DCPS Q96C86 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
SCHEMBL9129897 0.90 CYP2C9 (0.45) CYP2C9LNPEP
SCHEMBL13097049 0.82 SLC2A1 (0.42) SLC2A1IRAK4GRM4KDM4CCYP2D6
SCHEMBL12525730 0.77 SLC2A1 (0.46) SLC2A1IRAK4GRM4KDM4CACACB
SCHEMBL13097255 0.76 SLC2A1 (0.40) SLC2A1IRAK4GRM4KDM4CCYP2D6
SCHEMBL17304261 0.75 LNPEP (0.53) LNPEP
SCHEMBL9278063 0.74 CYP2C9 (0.45) CYP2C9LNPEP
SCHEMBL19076086 0.74 LNPEP (0.53) LNPEP
Hydrochloric Acid SCHEMBL9128720 0.73 CYP2C9 (0.44) CYP2C9LNPEP
SCHEMBL23530012 0.72 PIM1 (0.38) CYP2D6XDHDHFRDCPS
SCHEMBL23554564 0.72 LNPEP (0.38) LNPEP

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 SLC2A1 385/4885CYP2C9 713/4885IRAK4 2330/4885

“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.

Send feedback