SCHEMBL2182368

SCHEMBL2182368

CC(=O)Oc1cccc(C2=Cc3ccc(OC(C)=O)cc3OC2C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
GAPDH P04406 2/20 0.43
CA2 P00918 2/20 0.41
CA5A P35218 2/20 0.41
LMNA P02545 4/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
ADORA2A P29274 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MAOB P27338 1/20 0.38
NPC1 O15118 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
USP2 O75604 1/20 0.37
HTT P42858 1/20 0.37
PTGS2 P35354 1/20 0.37
PKM P14618 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
SCHEMBL12413233 0.92 LMNA (0.48) ACHEGAPDHCA2CA5ALMNA
SCHEMBL2180009 0.89 CA2 (0.44) ACHEGAPDHCA2CA5ALMNA
SCHEMBL12413215 0.81 LMNA (0.45) ACHEGAPDHCA2CA5ALMNA
SCHEMBL2182312 0.76 CA2 (0.44) GAPDHCA2CA5ALMNAMAPT
SCHEMBL2070579 0.75 MAPT (0.46) ACHEGAPDHCA2CA5ALMNA
SCHEMBL13970428 0.75 CA2 (0.43) GAPDHCA2CA5ALMNAMAPT
SCHEMBL2181652 0.74 CA2 (0.42) GAPDHCA2CA5ALMNAMAPT
SCHEMBL2181830 0.74 LMNA (0.42) CA2CA5ALMNAMAPTALDH1A1
SCHEMBL12504730 0.73 CA2 (0.41) GAPDHCA2CA5ALMNAMAPT
SCHEMBL2181747 0.73 CA2 (0.44) GAPDHCA2CA5ALMNAMAPT

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-20110166142-A1 2-SUBSTITUTED ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USES NOVOGEN RESEARCH PTY LIMITED (AU) 2011-07-07 US disclosed
US-20110166142-A1 2-SUBSTITUTED ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USES NOVOGEN RESEARCH PTY LIMITED (AU) 2011-07-07 US disclosed
EP-2160385-A1 2-SUBSTITUTED ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USES Novogen Research Pty. Ltd. (AU) 2010-03-10 EP disclosed
WO-2009003229-A1 2-SUBSTITUTED ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USES NOVOGEN RESEARCH PTY LTD (AU) 2009-01-08 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-20110166142-A1 2-SUBSTITUTED ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USES NFE2L2, PTGS2, PTGES2 ACHE 2683/4885GAPDH 852/4885CA2 1772/4885

“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.