SCHEMBL6471897

SCHEMBL6471897

COc1c(N2CC3CCC(O)C3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.71
ALDH1A1 P00352 5/20 0.71
HPGD P15428 4/20 0.71
HSD17B10 Q99714 2/20 0.71
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71
KCNH2 Q12809 5/20 0.66
POLB P06746 3/20 0.66
TDP1 Q9NUW8 2/20 0.66
OPRM1 P35372 2/20 0.66
PRKD3 O94806 1/20 0.66
ALOX15 P16050 1/20 0.66
CLK2 P49760 1/20 0.66
CLK4 Q9HAZ1 1/20 0.66
LMNA P02545 2/20 0.60
ATM Q13315 1/20 0.57
CYP2C19 P33261 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NPSR1 Q6W5P4 1/20 0.54
GSK3B P49841 1/20 0.51

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
SCHEMBL9779875 0.90 ALDH1A1 (0.57) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6473884 0.90 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10MEN1
Water SCHEMBL9773796 0.89 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10MEN1
Water SCHEMBL9773800 0.89 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6458734 0.89 KDM4E (0.75) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6471557 0.88 KCNH2 (0.63) KDM4EALDH1A1HPGDHSD17B10MEN1
Water SCHEMBL9773846 0.88 KDM4E (0.74) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL4376423 0.85 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL5567734 0.85 KCNH2 (0.74) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL21946024 0.85 KDM4E (0.89) KDM4EALDH1A1HPGDHSD17B10MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107423-A1 Quinolone antibacterial agents ELLSWORTH EDMUND L (US) 2005-05-19 US claimed
WO-2005026165-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO claimed
US-20050107423-A1 Quinolone antibacterial agents ELLSWORTH EDMUND L (US) 2005-05-19 US disclosed
WO-2005026165-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO 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-20050107423-A1 Quinolone antibacterial agents NQO2, MRPL21, TOP1 KDM4E 4453/4885ALDH1A1 873/4885HPGD 184/4885

“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.