SCHEMBL1037733

SCHEMBL1037733

COc1ccc(C2COc3c(ccc(OC(C)=O)c3C)C2O)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
NR3C1 P04150 1/20 0.45
TSHR P16473 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 2/20 0.39
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
ACHE P22303 2/20 0.37
PTGS1 P23219 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 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
SCHEMBL12957537 1.00 CYP3A4 (0.46) CYP3A4NR3C1TSHRMEN1KMT2A
SCHEMBL4438143 1.00 CYP3A4 (0.46) CYP3A4NR3C1TSHRMEN1KMT2A
SCHEMBL2069332 0.98 NR3C1 (0.48) CYP3A4NR3C1TSHRMEN1KMT2A
SCHEMBL2069096 0.98 NR3C1 (0.48) CYP3A4NR3C1TSHRMEN1KMT2A
SCHEMBL2069182 0.88 CYP3A4 (0.38) CYP3A4NR3C1TSHRMEN1KMT2A
SCHEMBL2069577 0.88 CYP3A4 (0.38) CYP3A4NR3C1TSHRMEN1KMT2A
SCHEMBL7499651 0.86 CYP3A4 (0.41) CYP3A4NR3C1TSHRMEN1KMT2A
SCHEMBL2071317 0.85 LMNA (0.37) CYP3A4NR3C1KMT2AALDH1A1MAPT
SCHEMBL2072015 0.85 LMNA (0.37) CYP3A4NR3C1KMT2AALDH1A1MAPT
SCHEMBL2072017 0.85 LMNA (0.37) CYP3A4NR3C1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861402-B1 ISOFLAVONOID DIMERS NOVOGEN RES PTY LTD (AU) 2011-01-26 EP disclosed
US-7700644-B2 Such as 4,9-Dihydroxy-14,15-dimethoxy-12a-(3',4'-dimethoxyphenyl)-2, 11-dioxa-(1H,12H)-6b,6c,12a,16b-tetrahydronaphtho[1,2-g]chrysene via dimerisation of 3-phenylchroman NOVOGEN RESEARCH PTY LTD (AU) 2010-04-20 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-20080306140-A1 Isoflavonoid Dimers NOVOGEN RESEARCH PTY LTD (AU) 2008-12-11 US disclosed
EP-1861402-A1 ISOFLAVONOID DIMERS Novogen Research Pty. Ltd. (AU) 2007-12-05 EP disclosed
WO-2006099681-A1 ISOFLAVONOID DIMERS NOVOGEN RESEARCH PTY LTD (AU) 2006-09-28 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-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF SHBG, OAT, APOB CYP3A4 2407/4885NR3C1 1431/4885TSHR 4750/4885
US-20080306140-A1 Isoflavonoid Dimers CDK2, CDK20, F2 CYP3A4 269/4885NR3C1 3208/4885TSHR 4145/4885

“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.