SCHEMBL3493652

SCHEMBL3493652

O=C1Oc2cc(O)cc(O)c2CC1c1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.55
ESR2 Q92731 2/20 0.55
KMT2A Q03164 7/20 0.52
MEN1 O00255 6/20 0.52
CYP3A4 P08684 4/20 0.52
PTGS1 P23219 2/20 0.52
PTGS2 P35354 2/20 0.52
SYNJ2 O15056 1/20 0.52
HSD17B10 Q99714 3/20 0.48
ALDH1A1 P00352 3/20 0.48
CA12 O43570 3/20 0.48
CA4 P22748 3/20 0.48
CA7 P43166 3/20 0.48
CYP19A1 P11511 2/20 0.48
AMY1A P0DUB6 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALOX12 P18054 2/20 0.48
SLCO2B1 O94956 2/20 0.48
CYP1A1 P04798 2/20 0.48
CYP1A2 P05177 2/20 0.48

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
SCHEMBL17963720 0.90 KDM4E (0.56) ESR1ESR2KMT2AMEN1CYP3A4
SCHEMBL3960495 0.86 ESR2 (0.53) ESR1ESR2KMT2AMEN1CYP3A4
SCHEMBL28486759 0.84 PTGS1 (0.49) ESR1ESR2KMT2AMEN1CYP3A4
SCHEMBL2030055 0.79 ESR2 (0.51) ESR1ESR2KMT2AMEN1CYP3A4
SCHEMBL572237 0.78 ALOX12 (0.52) ESR1ESR2KMT2AMEN1CYP3A4
SCHEMBL14781369 0.75 KMT2A (0.82) ESR1ESR2KMT2AMEN1CYP3A4
SCHEMBL14774726 0.75 KMT2A (0.82) ESR1ESR2KMT2AMEN1CYP3A4
SCHEMBL14774778 0.75 KMT2A (0.82) ESR1ESR2KMT2AMEN1CYP3A4
SCHEMBL572086 0.73 KMT2A (0.41) ESR1ESR2KMT2AMEN1CYP3A4
SCHEMBL31547349 0.73 MAPT (0.46) ESR1ESR2KMT2AMEN1CYP3A4

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
WO-2023150072-A1 COMPOSITIONS AND METHODS FOR THE PRESERVATION OF PLANT MATTER SINCLAIR DAVID A (US) 2023-08-10 WO claimed
WO-2023150072-A1 COMPOSITIONS AND METHODS FOR THE PRESERVATION OF PLANT MATTER SINCLAIR DAVID A (US) 2023-08-10 WO disclosed
EP-2898923-A2 Isoflavones for regulating sirtuin gene expression Nestec S.A. (CH) 2015-07-29 EP disclosed
US-8742141-B2 Inhibition and treatment of prostate cancer metastasis NORTHWESTERN UNIVERSITY (US) 2014-06-03 US disclosed
EP-2699095-A2 METHODS AND COMPOSITIONS SUITABLE FOR PREVENTING AND TREATING HYPERLEPTINEMIA Nestec S.A. (CH) 2014-02-26 EP disclosed
EP-2696692-A1 METHODS FOR REGULATING SIRTUIN GENE EXPRESSION Nestec S.A. (CH) 2014-02-19 EP disclosed
US-20140037583-A1 METHODS AND COMPOSITIONS SUITABLE FOR PREVENTING AND TREATING HYPERLEPTINEMIA PAN YUANLONG (US) 2014-02-06 US disclosed
US-20140039047-A1 METHODS FOR REGULATING SIRTUIN GENE EXPRESSION PAN YUANLONG (US) 2014-02-06 US disclosed
US-20130296582-A1 INHIBITION AND TREATMENT OF PROSTATE CANCER METASTASIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-11-07 US disclosed
US-8481760-B2 Inhibition and treatment of prostate cancer metastasis NORTHWESTERN UNIVERSITY (US) 2013-07-09 US disclosed
WO-2012145281-A2 METHODS AND COMPOSITIONS SUITABLE FOR PREVENTING AND TREATING HYPERLEPTINEMIA NESTEC S.A. (CH) 2012-10-26 WO disclosed
WO-2012141876-A1 METHODS FOR REGULATING SIRTUIN GENE EXPRESSION NESTEC S.A. (CH) 2012-10-18 WO disclosed
US-20100137425-A1 INHIBITION AND TREATMENT OF PROSTATE CANCER METASTASIS NORTHWESTERN UNIVERSITY (US) 2010-06-03 US disclosed
US-7462478-B2 isolated from licorice; catalyzes a dehydration reaction of 2-hydroxy hisoflavanone NIHON UNIVERSITY (JP) 2008-12-09 US disclosed
US-20070050865-A1 Polynucleotide encoding 2-hydorxyisoflavanone dehydratase and application of the same NIHON UNIVERSITY (JP) 2007-03-01 US 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-20130296582-A1 INHIBITION AND TREATMENT OF PROSTATE CANCER METASTASIS MAPK4, MAP4K4, MAP3K4 ESR1 872/4885ESR2 1564/4885KMT2A 772/4885
US-20100137425-A1 INHIBITION AND TREATMENT OF PROSTATE CANCER METASTASIS MAPK4, MAP4K4, MAP3K4 ESR1 872/4885ESR2 1564/4885KMT2A 772/4885

“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.