SCHEMBL3409872

SCHEMBL3409872

C#CCCCC1OC(=O)C1CC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LYPLA1 O75608 5/20 0.47
LYPLA2 O95372 5/20 0.47
DAGLA Q9Y4D2 3/20 0.38
PNLIP P16233 3/20 0.35
PLA2G6 O60733 2/20 0.32
PLA2G4A P47712 1/20 0.32
DAGLB Q8NCG7 2/20 0.31
MEN1 O00255 1/20 0.31
NR1I2 O75469 1/20 0.31
ABHD16A O95870 1/20 0.31
LPL P06858 1/20 0.31
MAPT P10636 1/20 0.31
LIPC P11150 1/20 0.31
CNR1 P21554 1/20 0.31
ACHE P22303 1/20 0.31
FASN P49327 1/20 0.31
KMT2A Q03164 1/20 0.31
PLA2G7 Q13093 1/20 0.31
ABHD12 Q8N2K0 1/20 0.31
ABHD6 Q9BV23 1/20 0.31

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
SCHEMBL12370961 0.79 LYPLA1 (0.59) LYPLA1LYPLA2DAGLAPNLIPPLA2G6
SCHEMBL15324596 0.71 LYPLA1 (0.40) LYPLA1LYPLA2
SCHEMBL15324595 0.71 LYPLA1 (0.40) LYPLA1LYPLA2
SCHEMBL12370966 0.71 LYPLA1 (0.52) LYPLA1LYPLA2DAGLAPNLIPPLA2G6
SCHEMBL3402991 0.70 LYPLA1 (0.51) LYPLA1LYPLA2DAGLAPNLIPPLA2G6
SCHEMBL10555179 0.69 LYPLA1 (0.50) LYPLA1LYPLA2DAGLAPNLIPMEN1
SCHEMBL9265419 0.63 DAGLA (0.71) LYPLA1LYPLA2DAGLAPNLIPCNR1
SCHEMBL9265416 0.63 DAGLA (0.71) LYPLA1LYPLA2DAGLAPNLIPCNR1
SCHEMBL9265410 0.63 DAGLA (0.71) LYPLA1LYPLA2DAGLAPNLIPCNR1
SCHEMBL10083462 0.63 DAGLA (0.58) LYPLA1LYPLA2DAGLAPNLIPPLA2G6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9521845-B2 Beta-lactones as antibacterial agents LUDWIG-MAXIMILIANS-UNIVERSITÄT-MÜNCHEN (DE) 2016-12-20 US disclosed
US-20140163094-A1 BETA-LACTONES AS ANTIBACTERIAL AGENTS LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2014-06-12 US disclosed
US-8669283-B2 Beta-lactones as antibacterial agents LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2014-03-11 US disclosed
US-8563598-B2 2013-10-22 US disclosed
EP-2254574-A1 BETA-LACTONES AS ANTIBACTERIAL AGENTS Ludwig-Maximilians-Universität München (DE) 2010-12-01 EP disclosed
WO-2009106211-A1 BETA-LACTONES AS ANTIBACTERIAL AGENTS LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2009-09-03 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-20140163094-A1 BETA-LACTONES AS ANTIBACTERIAL AGENTS ALG8, PGLS, GLA LYPLA1 651/4885LYPLA2 1208/4885DAGLA 219/4885

“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.