SCHEMBL715188

SCHEMBL715188

CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 9/20 0.67
CNR1 P21554 5/20 0.67
DAGLB Q8NCG7 2/20 0.67
MAPT P10636 2/20 0.67
MEN1 O00255 1/20 0.67
NR1I2 O75469 1/20 0.67
ABHD16A O95870 1/20 0.67
LPL P06858 1/20 0.67
LIPC P11150 1/20 0.67
PNLIP P16233 1/20 0.67
ACHE P22303 1/20 0.67
FASN P49327 1/20 0.67
KMT2A Q03164 1/20 0.67
PLA2G7 Q13093 1/20 0.67
ABHD12 Q8N2K0 1/20 0.67
ABHD6 Q9BV23 1/20 0.67
LIPG Q9Y5X9 1/20 0.67
KDM4E B2RXH2 1/20 0.67
USP2 O75604 1/20 0.67
CYP3A4 P08684 1/20 0.67

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
SCHEMBL13210083 1.00 DAGLA (0.67) DAGLACNR1DAGLBMAPTMEN1
SCHEMBL9827473 0.94 DAGLA (0.59) DAGLACNR1DAGLBMAPTMEN1
SCHEMBL9457154 0.89 DAGLA (0.67) DAGLACNR1DAGLBMAPTMEN1
SCHEMBL9457152 0.89 DAGLA (0.67) DAGLACNR1DAGLBMAPTMEN1
SCHEMBL9457160 0.89 DAGLA (0.67) DAGLACNR1DAGLBMAPTMEN1
SCHEMBL712215 0.88 DAGLA (0.70) DAGLACNR1DAGLBMAPTMEN1
SCHEMBL9033404 0.86 DAGLA (0.68) DAGLACNR1DAGLBMAPTMEN1
SCHEMBL9031174 0.86 DAGLA (0.62) DAGLACNR1DAGLBMAPTMEN1
SCHEMBL23347436 0.84 DAGLA (0.78) DAGLACNR1DAGLBMAPTMEN1
SCHEMBL9457606 0.84 DAGLA (0.78) DAGLACNR1DAGLBMAPTMEN1

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-8124794-B2 Method for the asymmetric synthesis of beta-lactone compounds SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-02-28 US disclosed
US-7799826-B2 Inhibition of fatty acid synthase by beta-lactones and other compounds for inhibition of cellular proliferation BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-09-21 US disclosed
US-20100173982-A1 NOVEL METHOD FOR THE ASYMMETRIC SYNTHESIS OF BETA-LACTONE COMPOUNDS THE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-07-08 US disclosed
US-7728153-B2 Method for the asymmetric synthesis of beta-lactone compounds THE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-06-01 US disclosed
US-20060258620-A1 Novel method for the asymmetric synthesis of beta-lactone compounds BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2006-11-16 US disclosed
US-20040024050-A1 Inhibition of fatty acid synthase by beta-lactones and other compounds for inhibition of cellular proliferation BURNHAM INSTITUTE FOR MEDICAL RESEARCH 2004-02-05 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 (3 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-20100173982-A1 NOVEL METHOD FOR THE ASYMMETRIC SYNTHESIS OF BETA-LACTONE COMPOUNDS FASN, COASY, FADS1 DAGLA 228/4885CNR1 1240/4885DAGLB 122/4885
US-20060258620-A1 Novel method for the asymmetric synthesis of beta-lactone compounds FASN, COASY, FADS1 DAGLA 228/4885CNR1 1240/4885DAGLB 122/4885
US-20040024050-A1 Inhibition of fatty acid synthase by beta-lactones and other compounds for inhibition of cellular proliferation FASN, FADS1, FADS2 DAGLA 275/4885CNR1 1333/4885DAGLB 161/4885

“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.