SCHEMBL5078205

SCHEMBL5078205

CCCCCCCCCCCCCCC(C[Si](OC)(OC)OC)[C](C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.39
LMNA P02545 2/20 0.37
ZDHHC7 Q9NXF8 1/20 0.37
CA1 P00915 2/20 0.35
GRIK1 P39086 2/20 0.35
GRIK2 Q13002 2/20 0.35
SMPD1 P17405 3/20 0.34
GPR84 Q9NQS5 3/20 0.33
FDPS P14324 3/20 0.33
SPHK1 Q9NYA1 1/20 0.33
FFAR1 O14842 1/20 0.33
FAAH O00519 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 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
SCHEMBL2793731 1.00 CA2 (0.39) CA2LMNAZDHHC7CA1GRIK1
SCHEMBL4778464 0.85 GRIK1 (0.34) CA2LMNAZDHHC7CA1GRIK1
SCHEMBL19409983 0.77 CA2 (0.52) CA2LMNAGRIK1GRIK2GPR84
SCHEMBL129992 0.77 CA2 (0.52) CA2LMNAGRIK1GRIK2GPR84
SCHEMBL1282988 0.77 CA2 (0.52) CA2LMNAGRIK1GRIK2GPR84
SCHEMBL6391386 0.77 GPR84 (0.46) LMNAZDHHC7GPR84SPHK1FFAR1
SCHEMBL17148821 0.76 LMNA (0.46) LMNAZDHHC7SMPD1GPR84FDPS
SCHEMBL10995430 0.73 CA2 (0.48) CA2LMNACA1GRIK1GRIK2
SCHEMBL15674875 0.73 CA2 (0.48) CA2LMNACA1GRIK1GRIK2
SCHEMBL6051331 0.73 CA2 (0.48) CA2LMNAGRIK1GRIK2GPR84

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-8372384-B2 Quaternary ammonium functionalized cross-linked polyalkylsiloxanes with anti-fouling activity NDSU RESEARCH FOUNDATION (US) 2013-02-12 US disclosed
EP-1819748-B1 POLYURETHANE RESINS, A METHOD FOR THE PRODUCTION THEREOF AND OPTICAL LENSES MADE OF SAID RESINS ESSILOR INT (FR) 2008-10-29 EP disclosed
US-20080181862-A1 Quaternary ammonium functionalized cross-linked polyalkylsiloxanes with anti-fouling activity NDSU RESEARCH FOUNDATION 2008-07-31 US disclosed
EP-1819748-A1 POLYURETHANE RESINS, A METHOD FOR THE PRODUCTION THEREOF AND OPTICAL LENSES MADE OF SAID RESINS ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2007-08-22 EP disclosed
WO-2006045960-A1 POLYURETHANE RESINS, A METHOD FOR THE PRODUCTION THEREOF AND OPTICAL LENSES MADE OF SAID RESINS ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2006-05-04 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-20080181862-A1 Quaternary ammonium functionalized cross-linked polyalkylsiloxanes with anti-fouling activity PFAS, PIGS, ALG1 CA2 368/4885LMNA 3512/4885ZDHHC7 3709/4885

“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.