SCHEMBL653025

SCHEMBL653025

O=C(CCC(=O)c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2

nearest known ligand 0.87

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.87
TSHR P16473 1/20 0.87
CTNNB1 P35222 15/20 0.84
WNT3A P56704 10/20 0.81
HPGD P15428 1/20 0.81
ALDH1A1 P00352 1/20 0.76
ATM Q13315 1/20 0.74

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
SCHEMBL1443787 0.93 PKM (1.00) PKMTSHRCTNNB1WNT3AHPGD
SCHEMBL652627 0.92 CTNNB1 (0.77) PKMTSHRCTNNB1WNT3AHPGD
Dalosirvat SCHEMBL653870 0.92 CTNNB1 (1.00) PKMTSHRCTNNB1WNT3AHPGD
SCHEMBL654022 0.90 CTNNB1 (1.00) PKMTSHRCTNNB1WNT3AHPGD
SCHEMBL20079920 0.90 PKM (0.72) PKMTSHRCTNNB1WNT3AHPGD
SCHEMBL10027736 0.90 CTNNB1 (1.00) PKMTSHRCTNNB1WNT3AHPGD
SCHEMBL22638726 0.90 CTNNB1 (0.72) PKMTSHRCTNNB1WNT3AHPGD
SCHEMBL20827392 0.90 HPGD (1.00) PKMTSHRCTNNB1WNT3AHPGD
SCHEMBL22638740 0.90 HPGD (0.71) PKMTSHRCTNNB1WNT3AHPGD
SCHEMBL15969673 0.89 CTNNB1 (1.00) PKMTSHRCTNNB1WNT3AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3915367-A1 DIKETONES AND HYDROXYKETONES AS CATENIN SIGNALING PATHWAY ACTIVATORS BioSplice Therapeutics, Inc. (US) 2021-12-01 EP disclosed
EP-3915367-A1 DIKETONES AND HYDROXYKETONES AS CATENIN SIGNALING PATHWAY ACTIVATORS BioSplice Therapeutics, Inc. (US) 2021-12-01 EP disclosed
US-20210353604-A1 ß- AND y -DIKETONES AND y -HYDROXYKETONES AS WNT/ ß -CATENIN SIGNALING PATHWAY ACTIVATORS VICKERS VENTURE FUND VI (PLAN) PTE. LTD. (SG) 2021-11-18 US disclosed
US-20210353604-A1 ß- AND y -DIKETONES AND y -HYDROXYKETONES AS WNT/ ß -CATENIN SIGNALING PATHWAY ACTIVATORS VICKERS VENTURE FUND VI (PLAN) PTE. LTD. (SG) 2021-11-18 US disclosed
US-20200121663-A1 B- AND y -DIKETONES AND y -HYDROXYKETONES AS WNT/ B -CATENIN SIGNALING PATHWAY ACTIVATORS WINTHERIX LLC 2020-04-23 US disclosed
US-20200121663-A1 B- AND y -DIKETONES AND y -HYDROXYKETONES AS WNT/ B -CATENIN SIGNALING PATHWAY ACTIVATORS WINTHERIX LLC 2020-04-23 US disclosed
US-10314832-B2 β- and γ-diketones and γ-hydroxyketones as Wnt/β-catenin signaling pathway activators SAMUMED, LLC (US) 2019-06-11 US disclosed
US-10314832-B2 β- and γ-diketones and γ-hydroxyketones as Wnt/β-catenin signaling pathway activators SAMUMED, LLC (US) 2019-06-11 US disclosed
US-20180333400-A1 B- AND y -DIKETONES AND y -HYDROXYKETONES AS WNT/ B -CATENIN SIGNALING PATHWAY ACTIVATORS VICKERS VENTURE FUND VI (PLAN) PTE. LTD. (SG) 2018-11-22 US disclosed
EP-3311666-A1 DIKETONES AND HYDROXYKETONES AS CATENIN SIGNALING PATHWAY ACTIVATORS Samumed, LLC (US) 2018-04-25 EP disclosed
US-8629176-B1 β- and γ-diketones and γ-hydroxyketones as WNT/ β-catenin signaling pathway activators SAMUMED, LLC (US) 2014-01-14 US disclosed
US-8629176-B1 β- and γ-diketones and γ-hydroxyketones as WNT/ β-catenin signaling pathway activators SAMUMED, LLC (US) 2014-01-14 US disclosed
US-20140005228-A1 B- AND Y -DIKETONES AND Y -HYDROXYKETONES AS WNT/ B -CATENIN SIGNALING PATHWAY ACTIVATORS SAMUMED, LLC (US) 2014-01-02 US disclosed
US-8609717-B2 β- and γ-diketones and γ-hydroxyketones as WNT/β-catenin signaling pathway activators SAMUMED, LLC (US) 2013-12-17 US disclosed
EP-2605652-A1 DIKETONES AND HYDROXYKETONES AS CATENIN SIGNALING PATHWAY ACTIVATORS Samumed, LLC (US) 2013-06-26 EP disclosed
WO-2012024404-A1 DIKETONES AND HYDROXYKETONES AS CATENIN SIGNALING PATHWAY ACTIVATORS WINTHERIX, LLC (US) 2012-02-23 WO disclosed
WO-2012024404-A1 DIKETONES AND HYDROXYKETONES AS CATENIN SIGNALING PATHWAY ACTIVATORS WINTHERIX, LLC (US) 2012-02-23 WO disclosed
US-20120046320-A1 BETA- AND GAMMA-DIKETONES AND GAMMA-HYDROXYKETONES AS WNT/BETA-CATENIN SIGNALING PATHWAY ACTIVATORS WINTHERIX, LLC (US) 2012-02-23 US disclosed
US-20120046320-A1 BETA- AND GAMMA-DIKETONES AND GAMMA-HYDROXYKETONES AS WNT/BETA-CATENIN SIGNALING PATHWAY ACTIVATORS WINTHERIX, LLC (US) 2012-02-23 US disclosed
US-20120046320-A1 BETA- AND GAMMA-DIKETONES AND GAMMA-HYDROXYKETONES AS WNT/BETA-CATENIN SIGNALING PATHWAY ACTIVATORS WINTHERIX, LLC (US) 2012-02-23 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 (6 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-20210353604-A1 ß- AND y -DIKETONES AND y -HYDROXYKETONES AS WNT/ ß -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3A, GSK3B, WNT1 PKM 1034/4885TSHR 2946/4885CTNNB1 6/4885
US-20140005228-A1 B- AND Y -DIKETONES AND Y -HYDROXYKETONES AS WNT/ B -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3B, WNT3A, GSK3A PKM 1429/4885TSHR 3069/4885CTNNB1 6/4885
US-20200121663-A1 B- AND y -DIKETONES AND y -HYDROXYKETONES AS WNT/ B -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3B, GSK3A, WNT3A PKM 1338/4885TSHR 3145/4885CTNNB1 7/4885
US-20120046320-A1 BETA- AND GAMMA-DIKETONES AND GAMMA-HYDROXYKETONES AS WNT/BETA-CATENIN SIGNALING PATHWAY ACTIVATORS WNT1, CTNNA1, WNT3A PKM 1441/4885TSHR 2980/4885CTNNB1 6/4885
US-20180333400-A1 B- AND y -DIKETONES AND y -HYDROXYKETONES AS WNT/ B -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3B, GSK3A, WNT3A PKM 1338/4885TSHR 3145/4885CTNNB1 7/4885
US-10314832-B2 β- and γ-diketones and γ-hydroxyketones as Wnt/β-catenin signaling pathway activators WNT1, GSK3A, GSK3B PKM 1241/4885TSHR 2968/4885CTNNB1 5/4885

“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.