SCHEMBL584570

SCHEMBL584570

N=C1OCc2cc3c(cc21)OCO3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ACHE P22303 1/20 0.41
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CYP3A4 P08684 4/20 0.34
CHRNA7 P36544 1/20 0.34
HTR1A P08908 1/20 0.34
CYP2D6 P10635 3/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL6200324 0.75 CYP3A4 (0.52) KDM4EACHECYP3A4CYP2D6MAPT
SCHEMBL584571 0.73 CYP3A4 (0.38) KDM4EACHECA1CA2CA4
SCHEMBL1134704 0.71 CYP3A4 (0.48) KDM4EACHECYP3A4MAPTMEN1
SCHEMBL13151643 0.68 CYP3A4 (0.62) KDM4EACHECYP3A4CHRNA7MAPT
SCHEMBL16472556 0.66 CYP3A4 (0.44) KDM4EACHECA1CA2CA4
SCHEMBL8930679 0.65 ABCG2 (0.53) CYP3A4MAPTMEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL584514 0.64 HTR2B (0.38) CA1CA2CA4CA6MAPT
SCHEMBL12663048 0.64 CYP3A4 (0.38) KDM4EACHECYP3A4CHRNA7HTR1A
SCHEMBL583884 0.63 TXNRD1 (0.34) KDM4ECYP3A4CYP2D6ALDH1A1HSD17B10
SCHEMBL30773512 0.63 ALOX5 (0.50) KDM4EACHECYP3A4CYP2D6MAPT

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-20120077989-A1 CYCLIC IMIDATE LIGANDS UNIVERSITEIT GENT (BE) 2012-03-29 US disclosed
EP-2416879-A1 CYCLIC IMIDATE LIGANDS Universiteit Gent (BE) 2012-02-15 EP disclosed
WO-2010115903-A1 CYCLIC IMIDATE LIGANDS UNIVERSITEIT GENT (BE) 2010-10-14 WO disclosed
WO-2010115903-A1 CYCLIC IMIDATE LIGANDS UNIVERSITEIT GENT (BE) 2010-10-14 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-20120077989-A1 CYCLIC IMIDATE LIGANDS IDH2, CYCS, NAPRT KDM4E 1055/4885ACHE 1161/4885CA1 1385/4885

“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.