SCHEMBL3960481

SCHEMBL3960481

CC(=O)Oc1ccc(C2COc3cc(OC(C)=O)cc(OC(C)=O)c3C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 2/20 0.54
ABCB1 P08183 1/20 0.46
ALOX15 P16050 2/20 0.43
ALOX12 P18054 2/20 0.43
STING1 Q86WV6 3/20 0.40
PTPN1 P18031 1/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 3/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
TTR P02766 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL10563358 0.82 ALOX15 (0.55) CYP3A4ALDH1A1SMN1; SMN2MAPK1ALOX15
SCHEMBL6092940 0.82 ESR1 (0.55) ALDH1A1SMN1; SMN2ALOX15ALOX12KDM4E
SCHEMBL23222948 0.78 ALDH1A1 (0.54) CYP3A4ALDH1A1SMN1; SMN2MAPK1ABCB1
SCHEMBL2070801 0.77 CYP3A4 (0.43) CYP3A4ALDH1A1SMN1; SMN2MAPK1ABCB1
SCHEMBL10561540 0.76 ALOX15 (0.66) CYP3A4ALOX15ALOX12ESR1ESR2
SCHEMBL11634581 0.74 ALDH1A1 (0.55) CYP3A4ALDH1A1SMN1; SMN2MAPK1ABCB1
SCHEMBL14338687 0.74 ALOX15 (0.46) CYP3A4ALDH1A1SMN1; SMN2MAPK1ALOX15
SCHEMBL11050278 0.73 ALDH1A1 (0.52) CYP3A4ALDH1A1SMN1; SMN2MAPK1ABCB1
SCHEMBL17558551 0.73 ABCB1 (0.73) CYP3A4ALDH1A1SMN1; SMN2MAPK1ABCB1
SCHEMBL9101407 0.73 ABCB1 (0.73) CYP3A4ALDH1A1SMN1; SMN2MAPK1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF NOVOGEN RESEARCH PTY LTD (AU) 2009-09-17 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-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF NOVOGEN RESEARCH PTY LTD (AU) 2009-09-17 US disclosed
US-7488494-B2 Compositions and therapeutic methods involving isoflavones and analogues thereof NOVOGEN RESEARCH PTY LTD. (AU) 2009-02-10 US disclosed
US-7488494-B2 Compositions and therapeutic methods involving isoflavones and analogues thereof NOVOGEN RESEARCH PTY LTD. (AU) 2009-02-10 US disclosed
US-7488494-B2 Compositions and therapeutic methods involving isoflavones and analogues thereof NOVOGEN RESEARCH PTY LTD. (AU) 2009-02-10 US disclosed
US-20080014249-A1 Compositions and therapeutic methods involving isoflavones and analogues thereof NOVOGEN RESEARCH PTY LTD. 2008-01-17 US disclosed
US-20080014249-A1 Compositions and therapeutic methods involving isoflavones and analogues thereof NOVOGEN RESEARCH PTY LTD. 2008-01-17 US disclosed
US-20080014249-A1 Compositions and therapeutic methods involving isoflavones and analogues thereof NOVOGEN RESEARCH PTY LTD. 2008-01-17 US disclosed
EP-1721903-A1 Compositions and therapeutic methods involving isoflavones and analogues thereof Novogen Research Pty. Ltd. (AU) 2006-11-15 EP disclosed
US-20060106220-A1 Compositions and therapeutic methods involving isoflavones and analogues thereof NOVOGEN RESEARCH PTY. LTD. 2006-05-18 US disclosed
US-20040147551-A1 Compositions and therapeutic methods involving isoflavones and analogues thereof NOVOGEN RESEARCH PTY LTD. 2004-07-29 US disclosed
EP-1210341-A4 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF NOVOGEN RES PTY LTD (AU) 2003-06-11 EP disclosed
EP-1210341-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF Novogen Research Pty. Ltd. (AU) 2002-06-05 EP disclosed
WO-2001017986-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF NOVOGEN RESEARCH PTY LTD (AU) 2001-03-15 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 (4 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-20060106220-A1 Compositions and therapeutic methods involving isoflavones and analogues thereof SHBG, OAT, APOB CYP3A4 2407/4885ALDH1A1 3385/4885SMN1; SMN2 1044/4885
US-20080014249-A1 Compositions and therapeutic methods involving isoflavones and analogues thereof SHBG, ESR2, GPER1 CYP3A4 676/4885ALDH1A1 2374/4885SMN1; SMN2 3439/4885
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF SHBG, OAT, APOB CYP3A4 2407/4885ALDH1A1 3385/4885SMN1; SMN2 1044/4885
US-20040147551-A1 Compositions and therapeutic methods involving isoflavones and analogues thereof SHBG, ESR2, GPER1 CYP3A4 486/4885ALDH1A1 2034/4885SMN1; SMN2 3263/4885

“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.