SCHEMBL130303

SCHEMBL130303

CCCOC(=O)CC(=O)COC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.46
HPGD P15428 1/20 0.42
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
NAAA Q02083 1/20 0.36
DGKA P23743 1/20 0.36
ALDH1A1 P00352 5/20 0.36
GLA P06280 2/20 0.36
HCAR2 Q8TDS4 1/20 0.35
RAB9A P51151 1/20 0.33
EPHX2 P34913 1/20 0.33
LMNA P02545 1/20 0.33
HTR2C P28335 1/20 0.33
USP2 O75604 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL11735755 0.88 FAAH (0.56) FAAHHPGDNAAADGKAALDH1A1
SCHEMBL8717357 0.84 FAAH (0.53) FAAHMGAMGAASIMGAM2
SCHEMBL128346 0.83 FAAH (0.46) FAAHMGAMGAASIMGAM2
SCHEMBL126088 0.83 GAA (0.61) FAAHMGAMGAASIMGAM2
SCHEMBL29075 0.82
SCHEMBL11451557 0.82 FAAH (0.44) FAAHMGAMGAASIMGAM2
SCHEMBL11451948 0.82 NAAA (0.48) FAAHMGAMGAASIMGAM2
SCHEMBL127353 0.82 FAAH (0.44) FAAHHPGDMGAMGAASI
SCHEMBL6669031 0.80 FAAH (0.50) FAAHMGAMGAASIMGAM2
SCHEMBL28694750 0.80 FAAH (0.43) FAAHMGAMGAASIMGAM2

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 7 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-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 (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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 FAAH 403/4885HPGD 450/4885MGAM 4335/4885

“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.