SCHEMBL654664

SCHEMBL654664

COCCOCOc1ccc(C(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 14/20 1.00
WNT3A P56704 9/20 0.60
HPGD P15428 1/20 0.55
PKM P14618 1/20 0.55
TSHR P16473 1/20 0.55
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
ATM Q13315 1/20 0.51

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
SCHEMBL20079919 0.95 CTNNB1 (0.91) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL652411 0.91 CTNNB1 (0.84) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL20079916 0.87 CTNNB1 (0.77) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL19560285 0.85 CTNNB1 (0.74) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL653474 0.85 CTNNB1 (0.74) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL652035 0.82 CTNNB1 (0.78) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL23315729 0.81 CTNNB1 (0.69) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL19560225 0.80 CTNNB1 (0.66) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL20079915 0.79 CTNNB1 (0.65) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL19560286 0.78 CTNNB1 (0.63) CTNNB1WNT3AHPGDTSHRALDH1A1

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 50 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
EP-3311666-B1 DIKETONES AND HYDROXYKETONES AS CATENIN SIGNALING PATHWAY ACTIVATORS SAMUMED LLC (US) 2021-05-05 EP disclosed
EP-3311666-B1 DIKETONES AND HYDROXYKETONES AS CATENIN SIGNALING PATHWAY ACTIVATORS SAMUMED LLC (US) 2021-05-05 EP 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-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 (5 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 CTNNB1 6/4885WNT3A 4/4885HPGD 1045/4885
US-20140005228-A1 B- AND Y -DIKETONES AND Y -HYDROXYKETONES AS WNT/ B -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3B, WNT3A, GSK3A CTNNB1 6/4885WNT3A 2/4885HPGD 1184/4885
US-20200121663-A1 B- AND y -DIKETONES AND y -HYDROXYKETONES AS WNT/ B -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3B, GSK3A, WNT3A CTNNB1 7/4885WNT3A 3/4885HPGD 1398/4885
US-20120046320-A1 BETA- AND GAMMA-DIKETONES AND GAMMA-HYDROXYKETONES AS WNT/BETA-CATENIN SIGNALING PATHWAY ACTIVATORS WNT1, CTNNA1, WNT3A CTNNB1 6/4885WNT3A 3/4885HPGD 648/4885
US-10314832-B2 β- and γ-diketones and γ-hydroxyketones as Wnt/β-catenin signaling pathway activators WNT1, GSK3A, GSK3B CTNNB1 5/4885WNT3A 4/4885HPGD 762/4885

“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.