SCHEMBL457127

SCHEMBL457127

COc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 8/20 1.00
SLC5A2 P31639 7/20 1.00
NFKB1 P19838 2/20 0.91
NFKB2 Q00653 2/20 0.91
RELA Q04206 2/20 0.91
CYP19A1 P11511 3/20 0.73
GAA P10253 3/20 0.73
MAPT P10636 3/20 0.73
MEN1 O00255 3/20 0.73
HPGD P15428 3/20 0.73
KMT2A Q03164 3/20 0.73
ALDH1A1 P00352 2/20 0.73
CYP3A4 P08684 2/20 0.73
ATM Q13315 2/20 0.73
KDM4E B2RXH2 1/20 0.73
SLC16A3 O15427 1/20 0.73
LMNA P02545 1/20 0.73
TTR P02766 1/20 0.73
ESR1 P03372 1/20 0.73
TP53 P04637 1/20 0.73

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
SCHEMBL5084404 0.95 NFKB1 (1.00) SLC5A1SLC5A2NFKB1NFKB2RELA
SCHEMBL1938352 0.91 SLC5A1 (0.84) SLC5A1SLC5A2NFKB1NFKB2RELA
SCHEMBL1682159 0.89 NFKB1 (0.83) SLC5A1SLC5A2NFKB1NFKB2RELA
Asebogenin SCHEMBL4740064 0.89 NFKB1 (0.88) SLC5A1SLC5A2NFKB1NFKB2RELA
SCHEMBL28079027 0.88 SLC5A1 (0.78) SLC5A1SLC5A2NFKB1NFKB2RELA
SCHEMBL2282039 0.87 NFKB1 (0.83) SLC5A1SLC5A2NFKB1NFKB2RELA
SCHEMBL15457885 0.86 NFKB1 (0.83) SLC5A1SLC5A2NFKB1NFKB2RELA
SCHEMBL1224101 0.86 SLC5A1 (0.75) SLC5A1SLC5A2NFKB1NFKB2RELA
SCHEMBL8115827 0.86 NFKB1 (0.77) SLC5A1SLC5A2NFKB1NFKB2RELA
Phloretin SCHEMBL27910960 0.85 SLC5A1 (0.93) SLC5A1SLC5A2NFKB1NFKB2RELA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4219569-A CARBOCYCLIC KETONES THE UPJOHN COMPANY (US) 1980-08-26 US claimed
US-20260048027-A1 METHYLATED PHLORETIN ANALOGS AS INHIBITORS OF SGLT2 NESTLE SA (CH) 2026-02-19 US disclosed
EP-4572749-A1 METHYLATED PHLORETIN ANALOGS AS INHIBITORS OF SGLT2 Société des Produits Nestlé S.A. (CH) 2025-06-25 EP disclosed
CN-119654142-A Methylated phloretin analogs as inhibitors of SGLT2 雀巢产品有限公司 2025-03-18 CN disclosed
US-20250084049-A1 POLYCATIONIC SALTS OF PHENOLIC COMPOUNDS AND USES THEREOF FIRMENICH INCORPORATED (US) 2025-03-13 US disclosed
CN-118955261-A Synthesis process of phloretin and derivative thereof and application of phloretin and derivative thereof as antioxidant in plastic products 营口风光新材料股份有限公司 2024-11-15 CN disclosed
WO-2024038011-A1 METHYLATED PHLORETIN ANALOGS AS INHIBITORS OF SGLT2 Société des Produits Nestlé S.A. (CH) 2024-02-22 WO disclosed
WO-2023278394-A1 POLYCATIONIC SALTS OF PHENOLIC COMPOUNDS AND USES THEREOF FIRMENICH INCORPORATED (US) 2023-01-05 WO disclosed
US-10800725-B2 Arylpropionyl-triketone antibacterial agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-10-13 US disclosed
US-20130289128-A1 ARYLPROPIONYL-TRIKETONE ANTIBACTERIAL AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-10-31 US disclosed
WO-2012033846-A1 ARYLPROPIONYL-TRIKETONE ANTIBACTERIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-03-15 WO disclosed
WO-2010120029-A1 COMPOSITION COMPRISING THE EXTRACT OF ANEMARRHENA ASPHODELOIDES BUNGE OR THE COMPOUNDS ISOLATED FROM THE SAME FOR PREVENTING AND TREATING LIPID METABOLISM DISORDER EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) 2010-10-21 WO disclosed
US-7446120-B2 Peptidomimetic modulators of cell adhesion ADHEREX TECHNOLOGIES, INC. (CA) 2008-11-04 US disclosed
US-20080260829-A1 Bone morphogenic proteins (bmp); cell adhesion modulating agent; peptidomimetics of cyclic peptides comprising classical cadherin cell adhesion recognition (CAR) sequences; modulate cell adhesion and improve drug delivery NEW YORK SOCIETY FOR THE RUPTURED AND CRIPPLED MAINTAINING THE HOSPITAL FOR SPECIAL SURGERY (US) 2008-10-23 US disclosed
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2008-04-03 US disclosed
US-7268115-B2 Cyclic peptides; three-dimensional structures; screening; anticancer agents; angiogenesis inhibitors; drug delivery ADHEREX TECHNOLOGIES, INC. (CA) 2007-09-11 US disclosed
US-4219569-A CARBOCYCLIC KETONES THE UPJOHN COMPANY (US) 1980-08-26 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-20250084049-A1 POLYCATIONIC SALTS OF PHENOLIC COMPOUNDS AND USES THEREOF PGC, SLC5A6, PUF60 SLC5A1 207/4885SLC5A2 70/4885NFKB1 1051/4885
US-20080260829-A1 Bone morphogenic proteins (bmp); cell adhesion modulating agent; peptidomimetics of cyclic peptides comprising classical cadherin cell adhesion recognition (CAR) sequences; modulate cell adhesion and improve drug delivery BMP1, BMP2, BMP4 SLC5A1 2500/4885SLC5A2 3211/4885NFKB1 2073/4885
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION CDH1, EPCAM, VCAM1 SLC5A1 4027/4885SLC5A2 4268/4885NFKB1 3904/4885
US-20130289128-A1 ARYLPROPIONYL-TRIKETONE ANTIBACTERIAL AGENTS POLR2H, POLR2A, POLR2E SLC5A1 2423/4885SLC5A2 3409/4885NFKB1 425/4885
US-10800725-B2 Arylpropionyl-triketone antibacterial agents POLR2H, POLR2A, POLR2E SLC5A1 2423/4885SLC5A2 3409/4885NFKB1 425/4885
US-20260048027-A1 METHYLATED PHLORETIN ANALOGS AS INHIBITORS OF SGLT2 SLC5A2, SLC5A1, SLC2A1 SLC5A1 2/4885SLC5A2 1/4885NFKB1 4036/4885

“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.