SCHEMBL151650

SCHEMBL151650

CC(=O)Oc1ccc(-c2coc3c(Br)c(OC(C)=O)ccc3c2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ TP53 P04637 3/20 0.54
▸ CYP3A4 P08684 3/20 0.54
▸ LMNA P02545 3/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ THRB P10828 1/20 0.54
▸ KDM4E B2RXH2 4/20 0.53
▸ NPC1 O15118 4/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ HSD17B10 Q99714 2/20 0.49
▸ ADORA3 P0DMS8 1/20 0.46
▸ POLB P06746 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALOX15 P16050 2/20 0.43

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
SCHEMBL133521 0.88 SMN1; SMN2 (0.53) MAPTSMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL2069324 0.88 SMN1; SMN2 (0.56) MAPTSMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL2069790 0.87 SMN1; SMN2 (0.61) MAPTSMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL2070396 0.82 MAPT (0.65) MAPTSMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL12055305 0.81 SMN1; SMN2 (0.55) MAPTSMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL29550908 0.80 MAPT (0.73) MAPTSMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL28443416 0.80 MAPT (0.73) MAPTSMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL7498444 0.80 MAPT (0.65) MAPTSMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL2072031 0.80 MAPT (0.65) MAPTSMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL329814 0.80 XDH (0.55) MAPTSMN1; SMN2ALDH1A1TP53CYP3A4

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-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF NOVOGEN RESEARCH PTY LTD (AU) 2009-09-17 — — 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 (3 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 MAPT 1933/4885SMN1; SMN2 4339/4885ALDH1A1 2628/4885
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF SHBG, OAT, APOB MAPT 3422/4885SMN1; SMN2 1044/4885ALDH1A1 3385/4885
US-20090131513-A1 ANTI-INFLAMMATORY MODALITIES TNF, PTGES, NFKBIA MAPT 1933/4885SMN1; SMN2 4339/4885ALDH1A1 2628/4885

“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.

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