SCHEMBL653270

SCHEMBL653270

O=C(CC(=O)c1cccs1)c1ccc2c(c1)OCCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 7/20 1.00
HPGD P15428 6/20 0.70
NPC1 O15118 6/20 0.70
RAB9A P51151 6/20 0.70
TP53 P04637 3/20 0.70
ALDH1A1 P00352 3/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
PKM P14618 2/20 0.70
WNT3A P56704 3/20 0.68
KDM4E B2RXH2 4/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
POLB P06746 1/20 0.61
MAPT P10636 1/20 0.61
ATM Q13315 1/20 0.55
MAPK1 P28482 2/20 0.54
TSHR P16473 2/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL655556 0.89 CTNNB1 (1.00) CTNNB1HPGDNPC1RAB9ATP53
SCHEMBL20079912 0.82 CTNNB1 (0.81) CTNNB1HPGDNPC1RAB9ATP53
SCHEMBL15969297 0.81 CTNNB1 (1.00) CTNNB1HPGDNPC1RAB9ATP53
SCHEMBL10027735 0.80 CTNNB1 (0.82) CTNNB1HPGDNPC1RAB9ATP53
SCHEMBL24063842 0.76 CTNNB1 (0.64) CTNNB1HPGDNPC1RAB9ATP53
SCHEMBL30387529 0.76 MAOB (0.65) CTNNB1HPGDNPC1RAB9AALDH1A1
SCHEMBL26095520 0.76 MAOB (0.65) CTNNB1HPGDNPC1RAB9AALDH1A1
SCHEMBL711360 0.75 RAB9A (0.75) CTNNB1HPGDNPC1RAB9AALDH1A1
SCHEMBL26728280 0.75 ATM (0.71) CTNNB1HPGDNPC1RAB9AALDH1A1
SCHEMBL21980359 0.75 RAB9A (0.64) CTNNB1HPGDNPC1RAB9APKM

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 CTNNB1 6/4885HPGD 1045/4885NPC1 2194/4885
US-20140005228-A1 B- AND Y -DIKETONES AND Y -HYDROXYKETONES AS WNT/ B -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3B, WNT3A, GSK3A CTNNB1 6/4885HPGD 1184/4885NPC1 2588/4885
US-20200121663-A1 B- AND y -DIKETONES AND y -HYDROXYKETONES AS WNT/ B -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3B, GSK3A, WNT3A CTNNB1 7/4885HPGD 1398/4885NPC1 2267/4885
US-20120046320-A1 BETA- AND GAMMA-DIKETONES AND GAMMA-HYDROXYKETONES AS WNT/BETA-CATENIN SIGNALING PATHWAY ACTIVATORS WNT1, CTNNA1, WNT3A CTNNB1 6/4885HPGD 648/4885NPC1 2200/4885
US-20180333400-A1 B- AND y -DIKETONES AND y -HYDROXYKETONES AS WNT/ B -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3B, GSK3A, WNT3A CTNNB1 7/4885HPGD 1398/4885NPC1 2267/4885
US-10314832-B2 β- and γ-diketones and γ-hydroxyketones as Wnt/β-catenin signaling pathway activators WNT1, GSK3A, GSK3B CTNNB1 5/4885HPGD 762/4885NPC1 1790/4885

“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.