SCHEMBL458844

SCHEMBL458844

Cc1cc(O)c(C(=O)CCc2ccccc2)c(=O)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.60
SLC5A1 P13866 5/20 0.60
SLC5A2 P31639 5/20 0.60
MAPT P10636 4/20 0.60
ELANE P08246 5/20 0.59
ALDH1A1 P00352 6/20 0.54
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
CBS P35520 1/20 0.48
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
SLC16A3 O15427 1/20 0.47
LMNA P02545 1/20 0.47
TTR P02766 1/20 0.47
ESR1 P03372 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL29150883 0.92 ELANE (0.64) GAASLC5A1SLC5A2MAPTELANE
SCHEMBL29150893 0.90 ELANE (0.68) GAASLC5A1SLC5A2MAPTELANE
SCHEMBL29150872 0.89 SLC5A1 (0.65) GAASLC5A1SLC5A2MAPTELANE
SCHEMBL29150882 0.86 ELANE (0.56) GAASLC5A1SLC5A2MAPTELANE
SCHEMBL29150900 0.85 NFKB1 (0.67) GAASLC5A1SLC5A2MAPTELANE
Hydrochloric Acid SCHEMBL5209530 0.85 ELANE (0.55) GAASLC5A1SLC5A2MAPTELANE
SCHEMBL29150901 0.80 NFKB1 (0.59) SLC5A1SLC5A2MAPTELANEALDH1A1
SCHEMBL459195 0.80 ELANE (0.73) GAASLC5A1SLC5A2MAPTELANE
SCHEMBL27035891 0.79 ELANE (0.88) ELANEALDH1A1MEN1KMT2ALMNA
SCHEMBL27035935 0.79 ELANE (0.88) ELANEALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117143062-B 4-Hydroxy-2-pyrone compound, preparation method and application 西北农林科技大学 2024-09-20 CN disclosed
CN-117143062-A 3-substituted 4-hydroxy-2-pyrone compound, preparation method and application 西北农林科技大学 2023-12-01 CN disclosed
US-8772332-B2 Arylpropionyl-alpha-pyrone antibacterial agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-07-08 US disclosed
US-20130296421-A1 ARYLPROPIONYL-ALPHA-PYRONE ANTIBACTERIAL AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-11-07 US disclosed
WO-2012033815-A1 ARYLPROPIONYL-ALPHA-PYRONE ANTIBACTERIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-03-15 WO 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 (1 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-20130296421-A1 ARYLPROPIONYL-ALPHA-PYRONE ANTIBACTERIAL AGENTS QRFPR, MRPL21, BET1 GAA 3805/4885SLC5A1 784/4885SLC5A2 1991/4885

“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.