SCHEMBL459195

SCHEMBL459195

CCCCCc1cc(O)c(C(=O)CCc2ccccc2)c(=O)o1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.73
SLC5A1 P13866 3/20 0.52
SLC5A2 P31639 3/20 0.52
MAPT P10636 2/20 0.52
GAA P10253 1/20 0.52
CBS P35520 1/20 0.48
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
ACHE P22303 1/20 0.44
SGMS1 Q86VZ5 1/20 0.44
SGMS2 Q8NHU3 1/20 0.44
HPGD P15428 1/20 0.43
HTR2B P41595 1/20 0.42
FFAR1 O14842 1/20 0.41
PLA2G2A P14555 1/20 0.41
PLA2G5 P39877 1/20 0.41

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
SCHEMBL10338016 0.86 ELANE (0.97) ELANEMAPTLMNAHTTFFAR1
SCHEMBL10337743 0.86 ELANE (0.92) ELANEMAPTLMNAHTTFFAR1
SCHEMBL10337787 0.85 ELANE (1.00) ELANEMAPTLMNAHTTACHE
SCHEMBL10338012 0.85 ELANE (1.00) ELANEMAPTLMNAHTTACHE
SCHEMBL10337784 0.85 ELANE (1.00) ELANEMAPTLMNAHTTACHE
SCHEMBL10337783 0.85 ELANE (1.00) ELANEMAPTLMNAHTTACHE
SCHEMBL10337865 0.85 ELANE (1.00) ELANEMAPTLMNAHTTACHE
SCHEMBL10337604 0.85 ELANE (1.00) ELANEMAPTLMNAHTTACHE
SCHEMBL10337989 0.85 ELANE (1.00) ELANEMAPTLMNAHTTACHE
SCHEMBL10338015 0.85 ELANE (1.00) ELANEMAPTLMNAHTTACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ELANE 827/4885SLC5A1 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.