SCHEMBL3069438

SCHEMBL3069438

COc1ccc(C(OC[C@@H]2O[C@H](n3cc(C)c(=O)[nH]c3=O)C(O)C2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYMP P19971 11/20 0.62
P2RY6 Q15077 3/20 0.44
TK2 O00142 1/20 0.44
P2RY14 Q15391 1/20 0.44
TK1 P04183 1/20 0.43

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
SCHEMBL15974161 1.00 TYMP (0.62) TYMPP2RY6TK2P2RY14TK1
SCHEMBL13714472 1.00 TYMP (0.62) TYMPP2RY6TK2P2RY14TK1
SCHEMBL6246850 1.00 TYMP (0.62) TYMPP2RY6TK2P2RY14TK1
SCHEMBL13205014 1.00 TYMP (0.62) TYMPP2RY6TK2P2RY14TK1
SCHEMBL9710318 1.00 TYMP (0.62) TYMPP2RY6TK2P2RY14TK1
SCHEMBL3069436 1.00 TYMP (0.62) TYMPP2RY6TK2P2RY14TK1
SCHEMBL5953147 0.94 TYMP (0.57) TYMPTK2TK1
SCHEMBL8535403 0.94 TYMP (0.57) TYMPTK2TK1
SCHEMBL8535399 0.94 TYMP (0.57) TYMPTK2TK1
SCHEMBL4626083 0.94 TYMP (0.57) TYMPTK2TK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772387-B2 Oligonucleotides comprising a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS (US) 2010-08-10 US disclosed
US-20090281298-A1 OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE ALNYLAM PHARMACEUTICALS, INC. (US) 2009-11-12 US disclosed
US-7579451-B2 Oligonucleotides comprising a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
EP-1828215-A2 OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE Alnylam Pharmaceuticals Inc. (US) 2007-09-05 EP disclosed
WO-2006093526-A2 OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE ALNYLAM PHARMACEUTICALS, INC. (US) 2006-09-08 WO disclosed
US-20060035254-A1 Oligonucleotides comprising a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS, INC. (US) 2006-02-16 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 (2 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-20090281298-A1 OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE NT5C3B, DERA, DUT TYMP 27/4885P2RY6 121/4885TK2 170/4885
US-20060035254-A1 Oligonucleotides comprising a modified or non-natural nucleobase NT5C3B, DERA, DUT TYMP 27/4885P2RY6 121/4885TK2 170/4885

“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.