SCHEMBL4132911

SCHEMBL4132911

CCCCCCCCCCCCCC(CC1OC(=O)C1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 8/20 1.00
CNR1 P21554 5/20 1.00
DAGLB Q8NCG7 3/20 1.00
MAPT P10636 2/20 1.00
MEN1 O00255 1/20 1.00
NR1I2 O75469 1/20 1.00
ABHD16A O95870 1/20 1.00
LPL P06858 1/20 1.00
LIPC P11150 1/20 1.00
PNLIP P16233 1/20 1.00
ACHE P22303 1/20 1.00
FASN P49327 1/20 1.00
KMT2A Q03164 1/20 1.00
PLA2G7 Q13093 1/20 1.00
ABHD12 Q8N2K0 1/20 1.00
ABHD6 Q9BV23 1/20 1.00
LIPG Q9Y5X9 1/20 1.00
KDM4E B2RXH2 1/20 1.00
USP2 O75604 1/20 1.00
CYP3A4 P08684 1/20 1.00

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
Orlistat SCHEMBL608747 1.00 DAGLA (1.00) DAGLACNR1DAGLBMAPTMEN1
SCHEMBL4129379 1.00 DAGLA (1.00) DAGLACNR1DAGLBMAPTMEN1
SCHEMBL4129375 1.00 DAGLA (1.00) DAGLACNR1DAGLBMAPTMEN1
Orlistat SCHEMBL13210085 1.00 DAGLA (1.00) DAGLACNR1DAGLBMAPTMEN1
Orlistat SCHEMBL3270614 1.00 DAGLA (1.00) DAGLACNR1DAGLBMAPTMEN1
Orlistat SCHEMBL2473855 1.00 DAGLA (1.00) DAGLACNR1DAGLBMAPTMEN1
Orlistat SCHEMBL16408 1.00 DAGLA (1.00) DAGLACNR1DAGLBMAPTMEN1
SCHEMBL12083554 1.00 DAGLA (1.00) DAGLACNR1DAGLBMAPTMEN1
Orlistat SCHEMBL22252870 1.00 DAGLA (1.00) DAGLACNR1DAGLBMAPTMEN1
Orlistat SCHEMBL10922890 1.00 DAGLA (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258321-B2 Beta-lactone compounds BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2012-09-04 US disclosed
US-20090124681-A1 BETA-LACTONE COMPOUNDS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-05-14 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-20090124681-A1 BETA-LACTONE COMPOUNDS LBR, CYP8B1, GLB1 DAGLA 126/4885CNR1 321/4885DAGLB 96/4885

“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.