SCHEMBL779507

SCHEMBL779507

CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cc(I)c(=O)[nH]c2=O)C[C@@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.52
TK1 P04183 2/20 0.51
BCHE P06276 4/20 0.42
HDAC1 Q13547 6/20 0.41
DUT P33316 1/20 0.41

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
SCHEMBL13314244 1.00 TOP2A (0.52) TOP2ATK1BCHEHDAC1DUT
SCHEMBL13314142 1.00 TOP2A (0.52) TOP2ATK1BCHEHDAC1DUT
SCHEMBL13533902 1.00 TOP2A (0.52) TOP2ATK1BCHEHDAC1DUT
SCHEMBL17525801 0.92 TK1 (0.51) TOP2ATK1BCHE
SCHEMBL23734350 0.91 TOP2A (0.51) TOP2ATK1BCHEHDAC1DUT
SCHEMBL24823002 0.91 TOP2A (0.51) TOP2ATK1BCHEHDAC1DUT
SCHEMBL24825163 0.89 TOP2A (0.50) TOP2ATK1BCHEHDAC1DUT
SCHEMBL23734310 0.89 TOP2A (0.50) TOP2ATK1BCHEHDAC1DUT
SCHEMBL23734365 0.89 TOP2A (0.50) TOP2ATK1BCHEHDAC1DUT
SCHEMBL21902479 0.89 TK1 (0.63) TK1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809357-B2 Compounds and derivatizations of DNAs and RNAs on the nucleobases of pyrimidines for function, structure and therapeutics HUANG, ZHEN, DR. 2014-08-19 US disclosed
US-20120070825-A1 Novel Compounds and Derivatizations of DNAs and RNAs on the Nucleobases of Pyrimidines for Function, Structure and Therapeutics SENA RESEARCH, INC. (US) 2012-03-22 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-20120070825-A1 Novel Compounds and Derivatizations of DNAs and RNAs on the Nucleobases of Pyrimidines for Function, Structure and Therapeutics NSUN2, RNMT, TRDMT1 TOP2A 260/4885TK1 59/4885BCHE 3006/4885

“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.