SCHEMBL4895157

SCHEMBL4895157

C[C@H](NC(=O)c1coc(-c2cccc(O)c2)n1)c1cccc(O)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.51
HDAC1 Q13547 6/20 0.50
HDAC8 Q9BY41 6/20 0.50
HDAC6 Q9UBN7 6/20 0.50
MLLT1 Q03111 1/20 0.48
TSHR P16473 1/20 0.46
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
HPGDS O60760 1/20 0.44
PDE2A O00408 2/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL4886322 1.00 PDE4B (0.51) PDE4BHDAC1HDAC8HDAC6MLLT1
SCHEMBL4894837 0.80 HSD17B10 (0.46) ALDH1A1THRB
SCHEMBL4898393 0.80 HSD17B10 (0.46) ALDH1A1THRB
SCHEMBL12563444 0.78 HDAC1 (0.45) PDE4BHDAC1HDAC8HDAC6PDE2A
SCHEMBL12605025 0.78 HDAC1 (0.44) PDE4BHDAC1HDAC8HDAC6PDE2A
SCHEMBL4897161 0.77 HSD17B1 (0.57) PDE4BHDAC1HDAC8HDAC6HSD17B1
SCHEMBL4897783 0.77 HDAC1 (0.55) PDE4BHDAC1HDAC8HDAC6HSD17B1
SCHEMBL12563466 0.76 HDAC1 (0.58) PDE4BHDAC1HDAC8HDAC6PDE2A
SCHEMBL12697484 0.76 HDAC1 (0.41) PDE4BHDAC1HDAC8HDAC6PDE2A
SCHEMBL1660660 0.76 HDAC1 (0.41) PDE4BHDAC1HDAC8HDAC6PDE2A

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 2 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-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 PDE4B 3681/4885HDAC1 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.