SCHEMBL25547757

SCHEMBL25547757

COC(=O)c1cc2cc(OC)c(OCCN)c(OC)c2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56
XDH P47989 4/20 0.43
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
ABL1 P00519 2/20 0.39
SRC P12931 2/20 0.39
POLB P06746 4/20 0.38
PLAU P00749 2/20 0.38
MAPT P10636 1/20 0.38
P4HB P07237 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PAX8 Q06710 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR2 P34972 2/20 0.35
IDO1 P14902 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
SCHEMBL2908238 0.86 KDM4E (0.75) KDM4EALDH1A1LMNAHPGDXDH
SCHEMBL30097953 0.80 KDM4E (0.48) KDM4EALDH1A1LMNAHPGDXDH
SCHEMBL25547763 0.80 KDM4E (0.48) KDM4EALDH1A1LMNAHPGDXDH
SCHEMBL25547290 0.79 KDM4E (0.43) KDM4EALDH1A1LMNAHPGDPLAU
SCHEMBL14360690 0.78 KDM4E (0.58) KDM4EALDH1A1LMNAHPGDXDH
SCHEMBL30503469 0.74 KDM4E (0.75) KDM4EALDH1A1LMNAHPGDGAA
SCHEMBL28941241 0.74 KDM4E (0.75) KDM4EALDH1A1LMNAHPGDGAA
SCHEMBL1771123 0.73 HPGD (1.00) KDM4EALDH1A1LMNAHPGDPOLB
SCHEMBL12596874 0.73 KDM4E (0.77) KDM4EALDH1A1LMNAHPGDXDH
SCHEMBL12848655 0.72 ALDH1A1 (0.71) KDM4EALDH1A1LMNAHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230149558-A1 DUOCARMYCIN DERIVATIVE AND USE THEREOF THE UNIVERSITY OF TOKYO (JP) 2023-05-18 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-20230149558-A1 DUOCARMYCIN DERIVATIVE AND USE THEREOF MRPS18A, MRM1, MRPS17 KDM4E 2981/4885ALDH1A1 3034/4885LMNA 30/4885

“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.