SCHEMBL2182899

SCHEMBL2182899

CC(=O)Oc1ccc(-c2c(-c3ccccc3)oc3cc(OC(C)=O)ccc3c2=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.74
MAPT P10636 8/20 0.74
ALDH1A1 P00352 9/20 0.62
NPC1 O15118 5/20 0.62
RAB9A P51151 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
RXFP1 Q9HBX9 1/20 0.55
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
HPGD P15428 4/20 0.53
HSD17B10 Q99714 3/20 0.53
CYP3A4 P08684 2/20 0.53
THRB P10828 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
PLA2G2A P14555 1/20 0.52
PLA2G4A P47712 1/20 0.52
CA1 P00915 1/20 0.52

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
SCHEMBL12413371 0.92 KDM4E (0.67) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL2182357 0.88 KDM4E (0.58) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL4683758 0.85 KDM4E (1.00) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL6506553 0.83 MAPT (0.86) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL29768227 0.82 ALDH1A1 (0.76) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL28566115 0.82 ALDH1A1 (0.76) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL12413318 0.81 MAPT (0.53) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL2184783 0.80 KDM4E (0.62) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL2181512 0.79 MAPT (0.61) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL7912467 0.78 KDM4E (0.73) KDM4EMAPTALDH1A1NPC1RAB9A

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 KDM4E 3142/4885MAPT 2334/4885ALDH1A1 2357/4885

“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.