SCHEMBL8912939

SCHEMBL8912939

CCCCOC(=O)CC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.47
NAAA Q02083 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.44
DGKA P23743 1/20 0.42
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
TSHR P16473 3/20 0.41
HPGD P15428 1/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPHX1 P07099 1/20 0.40
ACHE P22303 5/20 0.39
HCAR2 Q8TDS4 1/20 0.39

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
SCHEMBL20962942 0.94 NAAA (0.55) FAAHNAAAALDH1A1DGKATSHR
SCHEMBL20500907 0.93 NAAA (0.58) FAAHNAAADGKATSHRRAD52
SCHEMBL21202159 0.93 NAAA (0.58) FAAHNAAADGKATSHRRAD52
SCHEMBL8914000 0.88 MGAM (0.44) FAAHNAAAALDH1A1DGKAMGAM
SCHEMBL152233 0.85 ALDH1A1 (0.61) FAAHNAAAALDH1A1ATMDGKA
SCHEMBL29093455 0.83 ALDH1A1 (0.58) FAAHNAAAALDH1A1ATMDGKA
Butane SCHEMBL6048840 0.83 ALDH1A1 (0.58) FAAHNAAAALDH1A1ATMDGKA
SCHEMBL7611107 0.83 ALDH1A1 (0.58) FAAHNAAAALDH1A1ATMDGKA
SCHEMBL18319913 0.81 NAAA (0.68) FAAHNAAAALDH1A1ATMDGKA
SCHEMBL5268975 0.81 ALDH1A1 (0.56) FAAHNAAAALDH1A1ATMDGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5621063-A BLOCKING WITH MALONIC ESTER; DEBLOCKING AT LOW TEMPERATURE HUELS AKTIENGESELLSCHAFT (DE) 1997-04-15 US claimed
US-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof MAZE THERAPEUTICS, INC. (US) 2023-11-14 US disclosed
US-20170197986-A1 DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2017-07-13 US disclosed
EP-3150600-A1 DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR Medshine Discovery Inc. (CN) 2017-04-05 EP disclosed
US-5621063-A BLOCKING WITH MALONIC ESTER; DEBLOCKING AT LOW TEMPERATURE HUELS AKTIENGESELLSCHAFT (DE) 1997-04-15 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 (2 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-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof GYS2, GYS1, PYGL FAAH 4807/4885NAAA 4378/4885ALDH1A1 2458/4885
US-20170197986-A1 DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR TMBIM6, HAVCR2, HDGF FAAH 4271/4885NAAA 3369/4885ALDH1A1 4083/4885

“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.