SCHEMBL4769947

SCHEMBL4769947

COC(=O)C(=CC1CCCCC1)C(=O)C1CC1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
GRIK1 P39086 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL4769941 1.00 CES2 (0.39) CES2CES1SMN1; SMN2NPSR1GRIK1
SCHEMBL15913809 0.87 NPSR1 (0.36) SMN1; SMN2NPSR1GRIK1
SCHEMBL15913328 0.85 GRIK1 (0.33) NPSR1GRIK1
SCHEMBL10471560 0.82 NPSR1 (0.33) SMN1; SMN2NPSR1GRIK1
SCHEMBL10471561 0.82 NPSR1 (0.33) SMN1; SMN2NPSR1GRIK1
SCHEMBL4014089 0.79 GRIK1 (0.32) SMN1; SMN2NPSR1GRIK1
SCHEMBL4007809 0.77 RECQL (0.35)
SCHEMBL2996954 0.77 SMN1; SMN2 (0.39) CES2CES1SMN1; SMN2NPSR1GRIK1
SCHEMBL1014910 0.75 CES2 (0.42) CES2CES1SMN1; SMN2NPSR1HDAC8
SCHEMBL1014911 0.75 CES2 (0.42) CES2CES1SMN1; SMN2NPSR1HDAC8

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-7459451-B2 e.g. 1-Ethyl-4-(5-methyl-3-pyridyl)-6-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid; phosphodiesterase (PDE)-IV inhibitor or tumor necrosis factor (TNF)- alpha antagonist; autoimmune diseases, antidepressant, anxiolytic agent; polychondritis, scleroderma, fibrosis, arthritis, Alzheimer's disease ASTELLAS PHARMA INC. (JP) 2008-12-02 US disclosed
EP-1763528-B1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-11-26 EP disclosed
CN-1980927-A Pyrazolopyridine derivatives ASTELLAS PHARMA INC (JP) 2007-06-13 CN disclosed
EP-1763528-A1 PYRAZOLOPYRIDINE DERIVATIVES Astellas Pharma Inc. (JP) 2007-03-21 EP disclosed
WO-2006004188-A1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2006-01-12 WO disclosed
US-20060004003-A1 Pyrazolopyridine derivatives ASTELLAS PHARMA INC. (JP) 2006-01-05 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-20060004003-A1 Pyrazolopyridine derivatives PDE4A, PDE3B, PDE5A CES2 1517/4885CES1 1062/4885SMN1; SMN2 2957/4885

“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.