SCHEMBL1701110

SCHEMBL1701110

CC(C)Oc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 16/20 1.00
MAOA P21397 7/20 1.00
MAOB P27338 7/20 1.00
MAPT P10636 4/20 0.77
SMN1; SMN2 Q16637 4/20 0.77
MEN1 O00255 3/20 0.77
KMT2A Q03164 3/20 0.77
NPC1 O15118 3/20 0.77
RAB9A P51151 3/20 0.77
ALDH1A1 P00352 3/20 0.77
HDAC6 Q9UBN7 3/20 0.77
POLB P06746 1/20 0.77
GAA P10253 1/20 0.77
PTGS1 P23219 1/20 0.77
SLC6A2 P23975 1/20 0.77
MAPK1 P28482 1/20 0.77
STAT1 P42224 1/20 0.77
CASP3 P42574 1/20 0.77
HTT P42858 1/20 0.77
HIF1A Q16665 1/20 0.77

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
SCHEMBL10622365 0.89 ALDH2 (1.00) ALDH2MAOAMAOBMAPTSMN1; SMN2
SCHEMBL738941 0.89 ALDH2 (0.80) ALDH2MAOAMAOBMAPTSMN1; SMN2
SCHEMBL10338453 0.88 KDM4E (0.80) ALDH2MAOAMAOBMAPTSMN1; SMN2
Ipriflavone SCHEMBL29485035 0.87 ALDH1A1 (1.00) ALDH2MAOAMAOBMAPTSMN1; SMN2
Ipriflavone SCHEMBL111472 0.87 ALDH1A1 (1.00) ALDH2MAOAMAOBMAPTSMN1; SMN2
SCHEMBL11012140 0.87 ALDH2 (0.77) ALDH2MAOAMAOBMAPTSMN1; SMN2
Isoformonentin SCHEMBL30105310 0.86 XDH (1.00) ALDH2MAOAMAOBMAPTSMN1; SMN2
Isoformonentin SCHEMBL73338 0.86 XDH (1.00) ALDH2MAOAMAOBMAPTSMN1; SMN2
SCHEMBL10796649 0.85 ALDH2 (1.00) ALDH2MAOAMAOBMAPTSMN1; SMN2
SCHEMBL1701136 0.84 ALDH2 (0.78) ALDH2MAOAMAOBXDH

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2981530-B1 ENHANCED OSTEOGENIC ACTIVITY OF DAIDZEIN ANALOGS ON HUMAN MESENCHYMAL STEM CELLS THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2020-02-12 EP claimed
US-9669004-B2 Daidzein analogs as treatment for cancer THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2017-06-06 US claimed
US-20160068542-A1 Enhanced Osteogenic Activity of Daidzein Analogs on Human Mesenchymal Stem Cells THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2016-03-10 US claimed
EP-2981530-A2 ENHANCED OSTEOGENIC ACTIVITY OF DAIDZEIN ANALOGS ON HUMAN MESENCHYMAL STEM CELLS The Administrators of the Tulane Educational Fund (US) 2016-02-10 EP claimed
US-20150148409-A1 NOVEL DAIDZEIN ANALOGS AS TREATMENT FOR CANCER XAVIER UNIVERSITY OF LOUISIANA 2015-05-28 US claimed
US-8962679-B2 Daidzein analogs as treatment for cancer THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2015-02-24 US claimed
WO-2014165723-A2 ENHANCED OSTEOGENIC ACTIVITY OF DAIDZEIN ANALOGS ON HUMAN MESENCHYMAL STEM CELLS THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2014-10-09 WO claimed
US-20130184475-A1 NOVEL DAIDZEIN ANALOGS AS TREATMENT FOR CANCER THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2013-07-18 US claimed
WO-2012006563-A2 NOVEL DAIDZEIN ANALOGS AS TREATMENT FOR CANCER THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2012-01-12 WO claimed
EP-0136569-A2 Isoflavone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-04-10 EP claimed
JP-60054379-A None JP disclosed
EP-2981530-B1 ENHANCED OSTEOGENIC ACTIVITY OF DAIDZEIN ANALOGS ON HUMAN MESENCHYMAL STEM CELLS THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2020-02-12 EP disclosed
US-9669004-B2 Daidzein analogs as treatment for cancer THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2017-06-06 US disclosed
US-9669004-B2 Daidzein analogs as treatment for cancer THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2017-06-06 US disclosed
US-20160068542-A1 Enhanced Osteogenic Activity of Daidzein Analogs on Human Mesenchymal Stem Cells THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2016-03-10 US disclosed
WO-2000002553-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING BONE DISEASES USING TOCOTRIENOLS LIPOGENICS, INC. (US) 2000-01-20 WO disclosed
US-4772627-A AMORPHOUS DRUG AND ADSORBENT, IMPROVED DISSOLUTION AND ADSORPTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-09-20 US disclosed
EP-0136569-A2 Isoflavone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-04-10 EP disclosed
JP-S6054379-A NOVEL 4H-1-BENZOPYRAN-4-ONE DERIVATIVE, ITS PREPARATION AND ITS USE TAKEDA CHEM IND LTD 1985-03-28 JP disclosed
EP-0129893-A2 Ground mixture Takeda Chemical Industries, Ltd. (JP) 1985-01-02 EP 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 (1 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-20160068542-A1 Enhanced Osteogenic Activity of Daidzein Analogs on Human Mesenchymal Stem Cells HPGDS, CXCL12, ALPG ALDH2 1023/4885MAOA 2979/4885MAOB 2571/4885

“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.