SCHEMBL2162945

SCHEMBL2162945

Cc1coc(C(CCCCCCc2ccccc2)O[Si](C)(C)C(C)(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 6/20 0.38
FAAH O00519 6/20 0.37
CES1 P23141 2/20 0.36
NCEH1 Q6PIU2 2/20 0.36
GRM5 P41594 1/20 0.36
CYP2D6 P10635 1/20 0.35

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
SCHEMBL2162537 0.88 DAGLA (0.48) DAGLAFAAHCES1NCEH1
SCHEMBL2162885 0.87 DAGLA (0.45) DAGLAFAAHCES1NCEH1
SCHEMBL2162662 0.87 DAGLA (0.45) DAGLAFAAHCES1NCEH1
SCHEMBL2162609 0.87 DAGLA (0.37) DAGLAFAAHCES1NCEH1
SCHEMBL2162516 0.86 FAAH (0.38) DAGLAFAAHCES1NCEH1
SCHEMBL2163201 0.86 DAGLA (0.46) DAGLAFAAHCES1NCEH1
SCHEMBL2163240 0.85 DAGLA (0.36) DAGLAFAAHCES1NCEH1
SCHEMBL2163723 0.84 DAGLA (0.48) DAGLAFAAHCES1NCEH1
SCHEMBL12403818 0.84 DAGLA (0.35) DAGLAFAAHCES1NCEH1
SCHEMBL2162635 0.84 DAGLA (0.53) DAGLAFAAHCES1NCEH1

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-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
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 DAGLA 921/4885FAAH 16/4885CES1 7/4885
US-20110184026-A1 C4-SUBSTITUTED ALPHA-KETO OXAZOLES ACACA, AKR1C4, HSD17B12 DAGLA 853/4885FAAH 17/4885CES1 7/4885

“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.