SCHEMBL4552579

SCHEMBL4552579

CC(C)(C)[Si](C)(C)OC(CCCCCCc1ccccc1)c1nc(-c2ccncc2)co1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.49
DAGLA Q9Y4D2 2/20 0.41
GSK3B P49841 6/20 0.37
FAAH O00519 5/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
MAPK1 P28482 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
SCHEMBL2163201 0.94 DAGLA (0.46) CES1DAGLAFAAH
SCHEMBL2162439 0.89 CES1 (0.42) CES1DAGLAFAAH
SCHEMBL2162388 0.86 CES1 (0.49) CES1DAGLAFAAH
SCHEMBL2162945 0.83 DAGLA (0.38) CES1DAGLAFAAH
SCHEMBL2162609 0.82 DAGLA (0.37) CES1DAGLAFAAH
SCHEMBL2162662 0.82 DAGLA (0.45) CES1DAGLAFAAH
SCHEMBL2162885 0.82 DAGLA (0.45) CES1DAGLAFAAH
SCHEMBL2162516 0.81 FAAH (0.38) CES1DAGLAFAAH
SCHEMBL2163279 0.80 CES1 (0.60) CES1DAGLAGSK3BFAAH
SCHEMBL2162537 0.80 DAGLA (0.48) CES1DAGLAFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302607-A1 C4-SUBSTITUTED ALPHA-KETO OXAZOLES THE SCRIPPS RESEARCH INSTITUTE (US) 2012-11-29 US disclosed
US-20120302607-A1 C4-SUBSTITUTED ALPHA-KETO OXAZOLES THE SCRIPPS RESEARCH INSTITUTE (US) 2012-11-29 US disclosed
US-20110184026-A1 C4-SUBSTITUTED ALPHA-KETO OXAZOLES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-07-28 US disclosed
WO-2009154785-A2 C4-SUBSTITUTED ALPHA-KETO OXAZOLES THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-23 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 (2 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-20120302607-A1 C4-SUBSTITUTED ALPHA-KETO OXAZOLES ACACA, AKR1C4, HSD17B12 CES1 7/4885DAGLA 921/4885GSK3B 1742/4885
US-20110184026-A1 C4-SUBSTITUTED ALPHA-KETO OXAZOLES ACACA, AKR1C4, HSD17B12 CES1 7/4885DAGLA 853/4885GSK3B 1680/4885

“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.