SCHEMBL6080969

SCHEMBL6080969

COC(=O)c1cc(O)c2c(CO)ccc(O)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.41
KDM4E B2RXH2 4/20 0.39
NQO2 P16083 2/20 0.39
PTGER4 P35408 1/20 0.38
GRM2 Q14416 1/20 0.38
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37
CA14 Q9ULX7 3/20 0.37
XDH P47989 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 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
SCHEMBL8755932 0.85 LCK (0.47) LCKKDM4ENQO2CA12CA1
SCHEMBL6081171 0.82 KDM4E (0.41) KDM4EPKMMEN1KMT2ALMNA
SCHEMBL6079781 0.80 LMNA (0.46) LMNAALDH1A1HPGDHSD17B10
SCHEMBL6080807 0.80 LCK (0.43) LCKKDM4ENQO2CA12CA1
SCHEMBL6079878 0.78 EGFR (0.49) LCKKDM4ENQO2GABRA1GABRG2
SCHEMBL6080535 0.76 NQO2 (0.40) LCKKDM4ENQO2GRM2CA2
SCHEMBL29128041 0.74 NQO2 (0.42) LCKKDM4ENQO2CA12CA1
Hydrochloric Acid SCHEMBL6081257 0.73 NQO2 (0.40) LCKKDM4ENQO2GRM2PKM
SCHEMBL6893457 0.72 NQO2 (0.41) LCKKDM4ENQO2CA12CA1
SCHEMBL6079742 0.72 HSP90AA1 (0.43) KDM4ENQO2PKMALDH1A1MAPT

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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL LCK 1565/4885KDM4E 1006/4885NQO2 2/4885

“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.