SCHEMBL779246

SCHEMBL779246

COc1ccc(C(OC[C@H]2O[C@@]([SeH])(n3ccc(=O)[nH]c3=O)[C@H](CCC#N)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYMP P19971 5/20 0.40
DUT P33316 3/20 0.34
P2RY14 Q15391 2/20 0.33
P2RY2 P41231 1/20 0.32
P2RY4 P51582 1/20 0.32
SLC6A1 P30531 2/20 0.31
SLC6A11 P48066 1/20 0.31

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
SCHEMBL917968 0.75 TYMP (0.40) TYMPDUTP2RY14SLC6A1SLC6A11
SCHEMBL6363039 0.75 TYMP (0.40) TYMPDUTP2RY14P2RY2P2RY4
SCHEMBL13715991 0.75 TYMP (0.48) TYMPP2RY14P2RY2P2RY4
SCHEMBL3918343 0.75 TYMP (0.48) TYMPP2RY14P2RY2P2RY4
SCHEMBL3918341 0.75 TYMP (0.48) TYMPP2RY14P2RY2P2RY4
SCHEMBL2108638 0.73 TYMP (0.46) TYMPP2RY14P2RY2P2RY4
SCHEMBL2108637 0.73 TYMP (0.46) TYMPP2RY14P2RY2P2RY4
SCHEMBL12434636 0.72 TYMP (0.62) TYMPP2RY14P2RY2P2RY4
SCHEMBL918583 0.72 TYMP (0.62) TYMPP2RY14P2RY2P2RY4
SCHEMBL918582 0.72 TYMP (0.62) TYMPP2RY14P2RY2P2RY4

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 14/4885DUT 10/4885P2RY14 1909/4885

“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.