SCHEMBL6079769

SCHEMBL6079769

COc1ccc(C(C)O)c2c(O)c(C)c(C(=O)O)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PDE4B Q07343 2/20 0.36
MAPT P10636 3/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
TGM2 P21980 1/20 0.35
PDE4A P27815 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
GALK1 P51570 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
EP300 Q09472 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6081049 0.83 MAPT (0.42) KDM4EL3MBTL1PDE4BMAPTMEN1
SCHEMBL6081119 0.81 RNASEH1 (0.44) KDM4EL3MBTL1PDE4BMAPTMEN1
SCHEMBL6601321 0.76 GPR35 (0.44) KDM4EL3MBTL1MAPTLMNABLM
SCHEMBL6080250 0.75 DHODH (0.41) KDM4EL3MBTL1PDE4BMAPTMEN1
SCHEMBL6080920 0.72 PDE10A (0.50) KDM4EL3MBTL1PDE4BMAPTMEN1
SCHEMBL28098400 0.70 PDE4B (0.40) KDM4EL3MBTL1PDE4BMAPTMEN1
SCHEMBL6079767 0.70 KDM4E (0.39) KDM4EPDE4BMAPTPDE4AMAPK1
SCHEMBL6080302 0.67 GPR35 (0.44) KDM4EL3MBTL1PDE4BMAPK1SMN1; SMN2
SCHEMBL6081015 0.67 KDM4E (0.42) KDM4EL3MBTL1PDE4BMAPTLMNA
Benzene SCHEMBL6080938 0.67 MAPT (0.37) KDM4EL3MBTL1PDE4BMAPTMEN1

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 KDM4E 1006/4885L3MBTL1 4069/4885PDE4B 183/4885

“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.