SCHEMBL16148652

SCHEMBL16148652

CCCCOc1ccc2c(c1)OCC(c1ccc(O)cc1)C2

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.64
ESR2 Q92731 3/20 0.64
TTR P02766 1/20 0.64
ALOX15 P16050 5/20 0.55
ALOX12 P18054 5/20 0.55
ALOX15B O15296 2/20 0.55
PTPN1 P18031 3/20 0.48
LTA4H P09960 2/20 0.43
NR5A1 Q13285 1/20 0.43
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL31545326 1.00 ESR1 (0.64) ESR1ESR2TTRALOX15ALOX12
SCHEMBL8983958 0.85 THRA (0.47) ESR1ESR2TTRALOX15ALOX12
SCHEMBL31545514 0.84 ESR1 (0.72) ESR1ESR2TTRALOX15ALOX12
Aus-131 SCHEMBL43647 0.79 ESR2 (1.00) ESR1ESR2TTRALOX15ALOX12
Aus-131 SCHEMBL29467332 0.79 ESR2 (1.00) ESR1ESR2TTRALOX15ALOX12
Aus-131 SCHEMBL677723 0.79 ESR2 (1.00) ESR1ESR2TTRALOX15ALOX12
Aus-131 SCHEMBL43648 0.79 ESR2 (1.00) ESR1ESR2TTRALOX15ALOX12
Aus-131 SCHEMBL2002128 0.79 ESR2 (1.00) ESR1ESR2TTRALOX15ALOX12
SCHEMBL38662450 0.79 ESR1 (0.76) ESR1ESR2TTRALOX15ALOX12
SCHEMBL12914761 0.79 ESR1 (0.76) ESR1ESR2TTRALOX15ALOX12

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 4 patents. 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 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
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 disclosed
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 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 ESR1 2035/4885ESR2 945/4885TTR 4881/4885

“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.