SCHEMBL128682

SCHEMBL128682

COCC(=O)CC(=O)OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
TSHR P16473 6/20 0.37
HSD17B10 Q99714 3/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
FAAH O00519 4/20 0.35
MAPT P10636 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
HTT P42858 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 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
SCHEMBL1012855 0.84 LMNA (0.46) LMNATSHRHSD17B10ALDH1A1ALOX15
SCHEMBL30531924 0.83 LMNA (0.39) LMNATSHRHSD17B10ALDH1A1ALOX15
SCHEMBL11734485 0.82 FAAH (0.42) TSHRFAAHMAPTCNR1CNR2
SCHEMBL271918 0.81
SCHEMBL7330562 0.79 TSHR (0.44) LMNATSHRHSD17B10ALDH1A1ALOX15
SCHEMBL128878 0.79 LMNA (0.41) LMNATSHRHSD17B10ALDH1A1ALOX15
SCHEMBL126506 0.79 MGAM (0.50) LMNATSHRHSD17B10ALDH1A1MAPT
SCHEMBL229792 0.78 TSHR (0.50) LMNATSHRHSD17B10ALDH1A1ALOX15
SCHEMBL7323225 0.78 ALOX15 (0.37) LMNATSHRHSD17B10ALDH1A1ALOX15
SCHEMBL11191830 0.78 LMNA (0.36) LMNATSHRHSD17B10ALDH1A1ALOX15

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 LMNA 1679/4885TSHR 1420/4885HSD17B10 76/4885

“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.