SCHEMBL782539

SCHEMBL782539

COC1(OC)C=CC(C(OC[C@H]2O[C@@H](n3cc([Se]C)c(NC(=O)c4ccccc4)nc3=O)C[C@@H]2O)(c2ccccc2)c2ccccc2)=CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.39
POLB P06746 2/20 0.35
NT5E P21589 2/20 0.31
TYMS P04818 2/20 0.31
ABL1 P00519 1/20 0.30
RIN1 Q13671 1/20 0.30
P2RY6 Q15077 1/20 0.30
P2RY14 Q15391 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
SCHEMBL30079948 0.82 TYMP (0.49) TYMPP2RY6
SCHEMBL780391 0.77
SCHEMBL22984016 0.77 TYMP (0.46) TYMPPOLBTYMS
SCHEMBL21828786 0.77 TYMP (0.46) TYMPPOLBTYMS
SCHEMBL261967 0.77 TYMP (0.46) TYMPPOLBTYMS
SCHEMBL741984 0.76 POLB (0.47) TYMPPOLB
SCHEMBL31611192 0.76 TYMP (0.44) TYMPP2RY6
SCHEMBL3568613 0.76 DUT (0.53) TYMPTYMSP2RY6
SCHEMBL780047 0.76 TK1 (0.49) TYMPTYMS
SCHEMBL31611491 0.75 POLB (0.40) TYMPPOLBNT5EABL1RIN1

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 TYMP 14/4885POLB 70/4885NT5E 283/4885

“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.