SCHEMBL457501

SCHEMBL457501

Cc1ccc(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 8/20 1.00
CYP19A1 P11511 3/20 0.78
MAPT P10636 3/20 0.78
MEN1 O00255 3/20 0.78
CYP3A4 P08684 3/20 0.78
KMT2A Q03164 3/20 0.78
GAA P10253 2/20 0.78
NFKB1 P19838 2/20 0.78
NFKB2 Q00653 2/20 0.78
RELA Q04206 2/20 0.78
HPGD P15428 2/20 0.78
MAPK1 P28482 2/20 0.78
KDM4E B2RXH2 1/20 0.78
SLC16A3 O15427 1/20 0.78
ALDH1A1 P00352 1/20 0.78
LMNA P02545 1/20 0.78
TTR P02766 1/20 0.78
ESR1 P03372 1/20 0.78
TP53 P04637 1/20 0.78

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
SCHEMBL18306234 0.92 SLC5A1 (0.84) SLC5A1SLC5A2CYP19A1MAPTMEN1
SCHEMBL15457885 0.89 NFKB1 (0.83) SLC5A1SLC5A2CYP19A1MAPTMEN1
Phloretin SCHEMBL27910960 0.88 SLC5A1 (0.93) SLC5A1SLC5A2CYP19A1MAPTMEN1
Phloretin SCHEMBL38131 0.88 SLC5A1 (1.00) SLC5A1SLC5A2CYP19A1MAPTMEN1
Phloretin SCHEMBL1506325 0.88 SLC5A1 (1.00) SLC5A1SLC5A2CYP19A1MAPTMEN1
SCHEMBL26244512 0.87 SLC5A1 (0.78) SLC5A1SLC5A2CYP19A1MAPTMEN1
SCHEMBL15094538 0.87 SLC5A1 (0.78) SLC5A1SLC5A2CYP19A1MAPTMEN1
Phloretin SCHEMBL30912872 0.86 SLC5A1 (0.96) SLC5A1SLC5A2CYP19A1MAPTMEN1
Phloretin SCHEMBL30785809 0.86 SLC5A1 (0.96) SLC5A1SLC5A2CYP19A1MAPTMEN1
Phloretin SCHEMBL31684375 0.86 SLC5A1 (0.96) SLC5A1SLC5A2CYP19A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20180142216-A1 Biosynthesis of Phenylpropanoid and Dihydrophenylpropanoid Derivatives DANSTAR FERMENT AG (CH) 2018-05-24 US disclosed
US-20170295827-A1 BEVERAGES CONTAINING RARE SUGARS THE COCA-COLA COMPANY 2017-10-19 US disclosed
US-9717267-B2 Beverages containing rare sugars THE COCA-COLA COMPANY (US) 2017-08-01 US disclosed
US-9517994-B2 Antibacterial agents: phloroglucinol derivatives RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-12-13 US disclosed
US-20160279084-A1 TARGETED TREATMENT OF ANEROBIC CANCER UNIVERSITY HOSPITALS CLEVELAND MEDICAL CENTER 2016-09-29 US disclosed
US-20150011647-A1 ANTIBACTERIAL AGENTS: PHLOROGLUCINOL DERIVATIVES HOWARD HUGHES MEDICAL INSTITUTE 2015-01-08 US disclosed
US-20140272068-A1 BEVERAGES CONTAINING RARE SUGARS THE COCA-COLA COMPANY 2014-09-18 US disclosed
US-20140271996-A1 BEVERAGES CONTAINING RARE SUGARS THE COCA-COLA COMPANY 2014-09-18 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
US-8227426-B2 Chiral complexes of ascorbic acid with natural antioxidant and anti-inflammatory ketones including aloe, citrus, ginger, and mango for skin and hair care ISLAND KINETICS INC. (US) 2012-07-24 US disclosed
WO-2012033846-A1 ARYLPROPIONYL-TRIKETONE ANTIBACTERIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-03-15 WO disclosed
US-20110059907-A1 Chiral Complexes of Ascorbic Acid with Natural Antioxidant and Anti-Inflammatory Ketones Including Aloe, Citrus, Ginger, and Mango for Skin and Hair Care ISLAND KINETICS INC. (US) 2011-03-10 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-20110059907-A1 Chiral Complexes of Ascorbic Acid with Natural Antioxidant and Anti-Inflammatory Ketones Including Aloe, Citrus, Ginger, and Mango for Skin and Hair Care GLA, LPO, PLOD3 SLC5A1 3886/4885SLC5A2 3603/4885CYP19A1 104/4885
US-20130289128-A1 ARYLPROPIONYL-TRIKETONE ANTIBACTERIAL AGENTS POLR2H, POLR2A, POLR2E SLC5A1 2423/4885SLC5A2 3409/4885CYP19A1 3134/4885
US-20150011647-A1 ANTIBACTERIAL AGENTS: PHLOROGLUCINOL DERIVATIVES BET1, MRPL21, PHF6 SLC5A1 41/4885SLC5A2 78/4885CYP19A1 3913/4885
US-10800725-B2 Arylpropionyl-triketone antibacterial agents POLR2H, POLR2A, POLR2E SLC5A1 2423/4885SLC5A2 3409/4885CYP19A1 3134/4885
US-20160279084-A1 TARGETED TREATMENT OF ANEROBIC CANCER SLC16A3, SLC16A1, SLC16A7 SLC5A1 76/4885SLC5A2 69/4885CYP19A1 2168/4885

“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.