SCHEMBL4919336

SCHEMBL4919336

CC(C)(C)[Si](C)(C)OCC1C(O[Si](C)(C)C(C)(C)C)CC(OCc2ccccc2)CC1OS(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.31
PSEN1 P49768 3/20 0.31
PSEN2 P49810 3/20 0.31
APH1B Q8WW43 3/20 0.31
NCSTN Q92542 3/20 0.31
APH1A Q96BI3 3/20 0.31
PSENEN Q9NZ42 3/20 0.31
HMGCR P04035 2/20 0.30
MAPT P10636 1/20 0.30
CYP2C19 P33261 1/20 0.30
KLK7 P49862 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL4919332 1.00 TOP2A (0.31) TOP2APSEN1PSEN2APH1BNCSTN
SCHEMBL4899890 0.83 PDE4D (0.34) TOP2A
SCHEMBL7493619 0.83 PDE4D (0.34) TOP2A
SCHEMBL4919329 0.78 HMGCR (0.30) HMGCR
SCHEMBL782454 0.77 TAAR1 (0.34)
SCHEMBL782455 0.77 TAAR1 (0.34)
SCHEMBL4895625 0.77
SCHEMBL4893196 0.76 CTSL (0.37) SIGMAR1
SCHEMBL14107808 0.76 CTSL (0.37) SIGMAR1
SCHEMBL724384 0.75 NAAA (0.41) TOP2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176813-A1 CARBOCYCLIC NUCLEOSIDES AND PROCESS FOR OBTAINING SUCH STICHTING REGA VZW (BE) 2008-07-24 US 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-20080176813-A1 CARBOCYCLIC NUCLEOSIDES AND PROCESS FOR OBTAINING SUCH ATIC, ADORA2A, ADORA3 TOP2A 203/4885PSEN1 4692/4885PSEN2 3974/4885

“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.