SCHEMBL2776865

SCHEMBL2776865

COc1cc2c(cc1C)OCCC2(C#N)O[Si](C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
BACE1 P56817 4/20 0.31
APP P05067 3/20 0.31

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
SCHEMBL2777849 0.78 BACE1 (0.33) BACE1APP
SCHEMBL2777365 0.78 GAA (0.34)
SCHEMBL1569767 0.77
SCHEMBL2129753 0.75 FTO (0.35)
SCHEMBL15919072 0.74 LMNA (0.36) BACE1APP
SCHEMBL20480416 0.74 APP (0.35) PDE4APDE4BPDE4CPDE4DBACE1
SCHEMBL9432147 0.74 AKR1B1 (0.43) BACE1APP
SCHEMBL1569539 0.74 AKR1B1 (0.36) BACE1APP
SCHEMBL11170633 0.74 MAP3K14 (0.39) BACE1APP
SCHEMBL12585686 0.73 HTR5A (0.32) BACE1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767667-B2 Pesticidal heterocycles FMC CORPORATION (US) 2010-08-03 US disclosed
US-20090012070-A1 PESTICIDAL HETEROCYCLES BAYER CROPSCIENCE AG (DE) 2009-01-08 US disclosed
US-7417057-B2 Pesticidal heterocycles BAYER CROPSCIENCE AG (DE) 2008-08-26 US disclosed
EP-1499609-A4 PESTICIDAL HETEROCYCLES FMC CORP (US) 2005-09-14 EP disclosed
US-20050143418-A1 Pesticidal heterocycles FMC CORPORATION 2005-06-30 US disclosed
EP-1499609-A2 PESTICIDAL HETEROCYCLES FMC CORPORATION (US) 2005-01-26 EP disclosed
WO-2003092374-A2 PESTICIDAL HETEROCYCLES FMC CORPORATION (US) 2003-11-13 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-20090012070-A1 PESTICIDAL HETEROCYCLES DDT, CBR3, ACHE PDE4A 991/4885PDE4B 512/4885PDE4C 424/4885
US-20050143418-A1 Pesticidal heterocycles DDT, TRHR, ACHE PDE4A 1106/4885PDE4B 616/4885PDE4C 380/4885

“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.