SCHEMBL8136342

SCHEMBL8136342

CCCCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
PTGS2 P35354 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
CNR1 P21554 4/20 0.35
CNR2 P34972 4/20 0.35
PCSK9 Q8NBP7 1/20 0.34
NAAA Q02083 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
SCHEMBL13871008 0.98 GAA (0.38) GAAPTGS2SIGMAR1CES2CES1
SCHEMBL13313635 0.98 GAA (0.38) GAAPTGS2SIGMAR1CES2CES1
SCHEMBL18215221 0.98 GAA (0.38) GAAPTGS2SIGMAR1CES2CES1
SCHEMBL12640536 0.95 PTGS2 (0.38) GAAPTGS2SIGMAR1CES2CES1
SCHEMBL2753905 0.87 CYP2C19 (0.34) GAAPTGS2SIGMAR1
SCHEMBL8482393 0.86 SIGMAR1 (0.33) SIGMAR1CNR1CNR2
SCHEMBL13193029 0.85 EPHX1 (0.53) NAAA
SCHEMBL15686638 0.84 KCNH3 (0.33) SIGMAR1CNR1CNR2
SCHEMBL15686603 0.84 KCNH3 (0.33) SIGMAR1CNR1CNR2
SCHEMBL2631387 0.84 KCNH3 (0.33) SIGMAR1CNR1CNR2

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-8114994-B2 2′ and 3′-substituted cyclobutyl nucleoside analogs for the treatment viral infections and abnormal cellular proliferation EMORY UNIVERSITY (US) 2012-02-14 US disclosed
EP-2319941-A2 Method and apparatus for correlating levels of biomarker products with disease GeneNews Inc. (CA) 2011-05-11 EP disclosed
US-20090149416-A1 2' and 3'-Substituted Cyclobutyl Nucleoside Analogs for the Treatment Viral Infections and Abnormal Cellular Proliferation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-06-11 US disclosed
US-7495006-B2 2′ and 3′-substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation EMORY UNIVERSITY (US) 2009-02-24 US disclosed
WO-2008137139-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2008-11-13 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 (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-20090149416-A1 2' and 3'-Substituted Cyclobutyl Nucleoside Analogs for the Treatment Viral Infections and Abnormal Cellular Proliferation HAVCR2, PNP, PCNA GAA 1957/4885PTGS2 2601/4885SIGMAR1 3878/4885

“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.