SCHEMBL15324596

SCHEMBL15324596

C#CCCCC1OC(=O)C1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LYPLA1 O75608 3/20 0.40
LYPLA2 O95372 3/20 0.40
HLCS P50747 3/20 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
SCHEMBL15324595 1.00 LYPLA1 (0.40) LYPLA1LYPLA2HLCS
SCHEMBL12370961 0.72 LYPLA1 (0.59) LYPLA1LYPLA2
SCHEMBL10555179 0.71 LYPLA1 (0.50) LYPLA1LYPLA2HLCS
SCHEMBL3409872 0.71 LYPLA1 (0.47) LYPLA1LYPLA2
SCHEMBL3402991 0.63 LYPLA1 (0.51) LYPLA1LYPLA2
SCHEMBL15324179 0.62 LYPLA1 (0.32) LYPLA1LYPLA2
SCHEMBL3405253 0.62 CYP1A2 (0.37) LYPLA1LYPLA2HLCS
SCHEMBL22618564 0.61 CTRB1 (0.50)
SCHEMBL14883105 0.59 ALDH1A1 (0.39) HLCS
SCHEMBL21508603 0.56

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 4 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

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 1208/4885HLCS 482/4885

“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.