SCHEMBL133679

SCHEMBL133679

O=C(Cc1ccc(O)cc1)c1ccc(O)c(Br)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.60
SHBG P04278 1/20 0.60
ESR2 Q92731 1/20 0.60
LMNA P02545 3/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
MAPT P10636 3/20 0.58
GAA P10253 1/20 0.58
ALOX12 P18054 1/20 0.58
PIK3CA P42336 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 2/20 0.50
MEN1 O00255 2/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
ATM Q13315 1/20 0.47
CA2 P00918 2/20 0.44
CAMK2A Q9UQM7 1/20 0.44

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
SCHEMBL27700015 0.86 PIK3CA (0.74) ESR1SHBGESR2LMNANPC1
SCHEMBL330362 0.80 SHBG (0.60) ESR1SHBGESR2LMNANPC1
SCHEMBL6847306 0.80 PIK3CA (0.82) ESR1SHBGESR2LMNANPC1
SCHEMBL3346345 0.79 ESR1 (0.64) ESR1SHBGESR2LMNANPC1
SCHEMBL16324510 0.75 ESR1 (0.73) ESR1SHBGESR2LMNANPC1
SCHEMBL30503014 0.75 ESR1 (1.00) ESR1SHBGESR2LMNANPC1
SCHEMBL312243 0.75 ESR1 (1.00) ESR1SHBGESR2LMNANPC1
SCHEMBL30204024 0.73 LMNA (1.00) ESR1SHBGESR2LMNANPC1
SCHEMBL2331741 0.73 LMNA (1.00) ESR1SHBGESR2LMNANPC1
SCHEMBL8703963 0.72 PIK3CA (0.70) ESR1SHBGESR2LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526941-A1 Anti-inflammatory Modalities Marshall Edwards, Inc. (US) 2012-11-28 EP disclosed
EP-2526941-A1 Anti-inflammatory Modalities Marshall Edwards, Inc. (US) 2012-11-28 EP disclosed
US-20120059176-A1 ANTI-INFLAMMATORY MODALITIES MARSHALL EDWARDS, INC. (US) 2012-03-08 US disclosed
US-20120059176-A1 ANTI-INFLAMMATORY MODALITIES MARSHALL EDWARDS, INC. (US) 2012-03-08 US disclosed
US-20120059176-A1 ANTI-INFLAMMATORY MODALITIES MARSHALL EDWARDS, INC. (US) 2012-03-08 US disclosed
US-20090131513-A1 ANTI-INFLAMMATORY MODALITIES NOVOGEN RESEARCH PTY LTD. (AU) 2009-05-21 US disclosed
US-20090131513-A1 ANTI-INFLAMMATORY MODALITIES NOVOGEN RESEARCH PTY LTD. (AU) 2009-05-21 US disclosed
US-20090131513-A1 ANTI-INFLAMMATORY MODALITIES NOVOGEN RESEARCH PTY LTD. (AU) 2009-05-21 US disclosed
EP-1861090-A1 ANTI-INFLAMMATORY MODALITIES Novogen Research Pty. Ltd. (AU) 2007-12-05 EP disclosed
WO-2006108212-A1 ANTI-INFLAMMATORY MODALITIES NOVOGEN RESEARCH PTY LTD (AU) 2006-10-19 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 (2 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-20120059176-A1 ANTI-INFLAMMATORY MODALITIES TNF, PTGES, NFKBIA ESR1 561/4885SHBG 74/4885ESR2 97/4885
US-20090131513-A1 ANTI-INFLAMMATORY MODALITIES TNF, PTGES, NFKBIA ESR1 561/4885SHBG 74/4885ESR2 97/4885

“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.