SCHEMBL133010

SCHEMBL133010

O=C1c2ccc(O)c(Br)c2OCC1c1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 3/20 0.58
CYP19A1 P11511 12/20 0.44
ALOX15 P16050 2/20 0.43
TYR P14679 1/20 0.38
PSMB5 P28074 1/20 0.36
KCNH2 Q12809 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL20826751 1.00 ALOX12 (0.58) ALOX12CYP19A1ALOX15TYRPSMB5
SCHEMBL20826766 1.00 ALOX12 (0.58) ALOX12CYP19A1ALOX15TYRPSMB5
SCHEMBL17938825 0.87 ALOX12 (0.62) ALOX12CYP19A1ALOX15TYRPSMB5
SCHEMBL21845202 0.83 ALOX12 (0.58) ALOX12CYP19A1ALOX15TYRPSMB5
SCHEMBL329826 0.83 ALOX12 (0.58) ALOX12CYP19A1ALOX15TYRKCNH2
SCHEMBL19472344 0.76 CYP19A1 (0.56) ALOX12CYP19A1ALOX15TYRPSMB5
SCHEMBL5797926 0.75 ALOX12 (0.75) ALOX12CYP19A1ALOX15KCNH2TRPV1
SCHEMBL16152440 0.75 ALOX12 (0.75) ALOX12CYP19A1ALOX15KCNH2TRPV1
SCHEMBL131543 0.75 ALOX12 (0.75) ALOX12CYP19A1ALOX15KCNH2TRPV1
SCHEMBL572236 0.74 ALOX12 (1.00) ALOX12CYP19A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020051644-A1 TREATMENT OF PERIPHERAL NERVOUS TISSUE INFLAMMATION NORBIO NO. 2 PTY LTD (AU) 2020-03-19 WO disclosed
WO-2019051548-A1 TREATMENT OF NEURO-INFLAMMATION NORBIO NO. 2 PTY LTD (AU) 2019-03-21 WO disclosed
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
CN-101203219-B Anti-inflammatory modalities NOVOGEN RES PTY LTD 2011-06-15 CN 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
CN-101203219-A Anti-inflammatory modalities NOVOGEN RES PTY LTD (AU) 2008-06-18 CN 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 ALOX12 61/4885CYP19A1 463/4885ALOX15 72/4885
US-20090131513-A1 ANTI-INFLAMMATORY MODALITIES TNF, PTGES, NFKBIA ALOX12 61/4885CYP19A1 463/4885ALOX15 72/4885

“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.