SCHEMBL3960495

SCHEMBL3960495

Cc1cc(O)cc2c1CC(c1ccc(O)cc1)C(=O)O2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.53
ESR1 P03372 2/20 0.53
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
MAPT P10636 3/20 0.47
THRB P10828 2/20 0.47
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
USP2 O75604 1/20 0.40
CYP19A1 P11511 3/20 0.40
CYP3A4 P08684 3/20 0.40
ALOX12 P18054 2/20 0.40
CA12 O43570 1/20 0.40
SLCO2B1 O94956 1/20 0.40
TTR P02766 1/20 0.40
SHBG P04278 1/20 0.40
CYP1A1 P04798 1/20 0.40

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
SCHEMBL3493652 0.86 ESR1 (0.55) ESR2ESR1KMT2AMEN1MAPT
SCHEMBL2030055 0.77 ESR2 (0.51) ESR2ESR1KMT2AMEN1MAPT
SCHEMBL17963720 0.76 KDM4E (0.56) ESR2ESR1KMT2AMEN1MAPT
SCHEMBL572237 0.72 ALOX12 (0.52) ESR2ESR1KMT2AMEN1MAPT
SCHEMBL31545141 0.71 ESR2 (0.60) ESR2ESR1KMT2AMEN1CYP19A1
SCHEMBL4806205 0.71 MAPT (0.46) ESR2ESR1KMT2AMEN1MAPT
SCHEMBL31547349 0.71 MAPT (0.46) ESR2ESR1KMT2AMEN1MAPT
SCHEMBL28486759 0.70 PTGS1 (0.49) ESR2ESR1KMT2AMEN1MAPT
SCHEMBL15304072 0.70 ESR1 (1.00) ESR2ESR1KMT2AMEN1ALDH1A1
SCHEMBL131547 0.69 ALOX12 (0.58) ESR2ESR1KMT2AMEN1MAPT

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
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-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
EP-1210341-B1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF NOVOGEN RES PTY LTD (AU) 2006-08-02 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 ESR2 57/4885ESR1 291/4885KMT2A 3920/4885
US-20080014249-A1 Compositions and therapeutic methods involving isoflavones and analogues thereof SHBG, ESR2, GPER1 ESR2 2/4885ESR1 4/4885KMT2A 4060/4885
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF SHBG, OAT, APOB ESR2 57/4885ESR1 291/4885KMT2A 3920/4885
US-20040147551-A1 Compositions and therapeutic methods involving isoflavones and analogues thereof SHBG, ESR2, GPER1 ESR2 2/4885ESR1 4/4885KMT2A 4003/4885

“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.