SCHEMBL12413185

SCHEMBL12413185

Oc1ccc(C2=Cc3ccc(O)cc3OC2c2nccs2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.46
ESR2 Q92731 6/20 0.46
APP P05067 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
IDO1 P14902 1/20 0.32
MAPK1 P28482 1/20 0.32
TDO2 P48775 1/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FBP1 P09467 1/20 0.31
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL2179318 0.78 ESR1 (0.61) ESR1ESR2APP
SCHEMBL2181362 0.78 ESR1 (0.53) ESR1ESR2APPMEN1MAPT
SCHEMBL2180745 0.78 ESR1 (0.46) ESR1ESR2APPMEN1KMT2A
SCHEMBL2182687 0.77 ESR1 (0.50) ESR1ESR2APP
SCHEMBL2180423 0.77 ESR1 (0.45) ESR1ESR2APPKMT2A
SCHEMBL12413248 0.75 RAB9A (0.38) ESR1ESR2MEN1POLBKMT2A
SCHEMBL2184444 0.75 ESR1 (0.55) ESR1ESR2APPAR
SCHEMBL2182453 0.74 ESR1 (0.48) ESR1ESR2NR3C1
SCHEMBL2184243 0.74 ESR1 (0.48) ESR1ESR2APP
SCHEMBL2184401 0.73 ESR1 (0.56) ESR1ESR2APP

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 3 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
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 ESR1 90/4885ESR2 8/4885APP 2176/4885

“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.