SCHEMBL4896482

SCHEMBL4896482

COC(=O)c1coc(-c2cccc(OCc3ccccc3)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.52
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
VDR P11473 2/20 0.48
PDE4B Q07343 2/20 0.47
DAGLA Q9Y4D2 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
DHODH Q02127 2/20 0.46
MAOB P27338 2/20 0.46
PPARG P37231 3/20 0.46
ESR1 P03372 1/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
RXRA P19793 1/20 0.45
PPARD Q03181 1/20 0.45
ESR2 Q92731 1/20 0.45
NR4A2 P43354 1/20 0.45

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
SCHEMBL4896931 0.89 MRGPRX4 (0.53) PPARAHDAC1HDAC8HDAC6MRGPRX4
SCHEMBL5186495 0.83 PPARA (0.51) PPARAMRGPRX4DHODHMAOBPPARG
SCHEMBL4894485 0.81 DGAT2 (0.49) PPARAHDAC1HDAC8HDAC6MAOB
SCHEMBL6386434 0.80 HDAC1 (0.65) HDAC1HDAC8HDAC6PDE4BDAGLA
SCHEMBL5186489 0.80 MAOB (0.49) PPARADHODHMAOB
SCHEMBL5184285 0.80 MRGPRX4 (0.48) PPARAMRGPRX4DHODHMAOBNR4A2
SCHEMBL19066414 0.79 KDM4E (0.43) HDAC1HDAC8HDAC6PDE4BDAGLA
SCHEMBL6438024 0.77 HDAC1 (0.52) HDAC1HDAC8HDAC6PDE4BDAGLA
SCHEMBL12377852 0.77 HDAC1 (0.51) PPARAHDAC1HDAC8HDAC6PDE4B
SCHEMBL14124837 0.77 DAGLA (0.44) HDAC1HDAC8HDAC6DAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815924-B2 Heterocyclic carbonyl compounds MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-8815924-B2 Heterocyclic carbonyl compounds MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-8815924-B2 Heterocyclic carbonyl compounds MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans MERCK PATENT GMBH (DE) 2008-04-17 US disclosed
US-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans MERCK PATENT GMBH (DE) 2008-04-17 US disclosed
US-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans MERCK PATENT GMBH (DE) 2008-04-17 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-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans SGK1, SGK2, SGK3 PPARA 1733/4885HDAC1 306/4885HDAC8 956/4885

“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.