SCHEMBL3405253

SCHEMBL3405253

C#CCCCC1CC(=O)O1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.37
▸ HLCS P50747 3/20 0.34
▸ PPARG P37231 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SIRT2 Q8IXJ6 6/20 0.33
▸ LYPLA1 O75608 2/20 0.31
▸ LYPLA2 O95372 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ ALOX15 P16050 1/20 0.30

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
SCHEMBL12903299 0.80 CYP1A2 (0.50) CYP1A2PPARGSMN1; SMN2SIRT2ALDH1A1
SCHEMBL14420774 0.80 CYP1A2 (0.45) CYP1A2PPARGSMN1; SMN2SIRT2ALDH1A1
SCHEMBL20624833 0.80 CYP1A2 (0.37) CYP1A2PPARGSMN1; SMN2SIRT2
SCHEMBL7164397 0.74 — —
SCHEMBL31244839 0.74 — —
SCHEMBL8159611 0.74 — —
SCHEMBL5691674 0.72 CYP1A2 (0.63) CYP1A2PPARGSIRT2ALDH1A1
SCHEMBL7156515 0.72 CYP1A2 (0.63) CYP1A2PPARGSIRT2ALDH1A1
SCHEMBL14883105 0.72 ALDH1A1 (0.39) HLCSALDH1A1
SCHEMBL11510254 0.71 CYP1A2 (0.67) CYP1A2PPARGSIRT2ALDH1A1

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 CYP1A2 4317/4885HLCS 482/4885PPARG 1233/4885

“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.

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