SCHEMBL129596

SCHEMBL129596

CCCOCC(=O)CC(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
MGAM O43451 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
FAAH O00519 2/20 0.41
ALDH1A1 P00352 5/20 0.40
TRPA1 O75762 1/20 0.40
HSD17B10 Q99714 3/20 0.39
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
CYP1A2 P05177 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CES2 O00748 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL128346 0.90 FAAH (0.46) GAAMGAMSIMGAM2FAAH
SCHEMBL2601700 0.89 MGAM (0.50) GAAMGAMSIMGAM2FAAH
SCHEMBL11385627 0.87 GAA (0.64) GAAMGAMSIMGAM2FAAH
SCHEMBL27734872 0.87 GAA (0.48) GAAMGAMSIMGAM2FAAH
SCHEMBL17144690 0.87 FAAH (0.53) GAAMGAMSIMGAM2FAAH
SCHEMBL132800 0.85 GAA (0.61) GAAMGAMSIMGAM2FAAH
SCHEMBL3281103 0.85 GAA (0.50) GAAMGAMSIMGAM2FAAH
SCHEMBL7892333 0.85 GAA (0.50) GAAMGAMSIMGAM2FAAH
SCHEMBL7606970 0.85 GAA (0.50) GAAMGAMSIMGAM2FAAH
SCHEMBL7608606 0.85 GAA (0.50) GAAMGAMSIMGAM2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP disclosed
US-20080070789-A1 PROCESS FOR MAKING AMLODIPINE, DERIVATIVES THEREOF, AND PRECURSORS THEREFOR SLANINA PAVEL 2008-03-20 US disclosed
US-4020178-A 1,4-Dihydropyridine esters used as coronary dilators and anti-hypertensives BAYER AKTIENGESELLSCHAFT (DT) 1977-04-26 US disclosed
US-3974278-A 1,4-Dihydropyridine esters BAYER AKTIENGESELLSCHAFT (DT) 1976-08-10 US disclosed
US-3971796-A 1,4-Dihydropyridine esters BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 GAA 4647/4885MGAM 4335/4885SI 3555/4885
US-20080070789-A1 PROCESS FOR MAKING AMLODIPINE, DERIVATIVES THEREOF, AND PRECURSORS THEREFOR CACNA1D, CACNA1F, CYP51A1 GAA 2791/4885MGAM 1778/4885SI 3237/4885

“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.