SCHEMBL4499549

SCHEMBL4499549

CC(C)(C)OC(=O)N1CCCC1C(=O)CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 2/20 0.47
UCHL1 P09936 1/20 0.45
KLK7 P49862 1/20 0.44
SCN5A Q14524 1/20 0.43
SCN3A Q9NY46 1/20 0.43

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
SCHEMBL903389 0.85 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL13871981 0.85 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL10031609 0.85 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL16856693 0.85 HSD17B10 (0.51) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL18136589 0.85 HSD17B10 (0.51) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL10720815 0.84 HSD17B10 (0.53) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL18787687 0.84 HSD17B10 (0.50) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL18787688 0.84 HSD17B10 (0.50) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL6941435 0.84 HSD17B10 (0.56) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL2707102 0.84 HSD17B10 (0.56) HSD17B10SMN1; SMN2NPC1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557115-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2009-07-07 US disclosed
EP-1558083-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-04-16 EP disclosed
US-20060264449-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2006-11-23 US disclosed
EP-1558083-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-08-03 EP disclosed
WO-2004034972-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2004-04-29 WO 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-20060264449-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 HSD17B10 887/4885SMN1; SMN2 1777/4885NPC1 246/4885

“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.