SCHEMBL6323173

SCHEMBL6323173

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

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.51
TYMS P04818 1/20 0.44
TK1 P04183 5/20 0.43
TOP2A P11388 2/20 0.43
TYMP P19971 1/20 0.43
TK2 O00142 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
SCHEMBL6830771 0.94 RNASE1 (0.51) RNASE1TYMSTK1TOP2ATYMP
SCHEMBL6832157 0.92 RNASE1 (0.49) RNASE1TYMSTK1TOP2ATK2
SCHEMBL6827418 0.92 RNASE1 (0.53) RNASE1TYMSTK1TK2
SCHEMBL6831287 0.91 RNASE1 (0.47) RNASE1TYMSTK1TOP2ATYMP
SCHEMBL23045153 0.91 RNASE1 (0.57) RNASE1TYMSTK1TYMPTK2
SCHEMBL6830424 0.91 RNASE1 (0.49) RNASE1TYMSTK1TOP2ATK2
SCHEMBL7266100 0.91 RNASE1 (0.49) RNASE1TYMSTK1TYMPTK2
SCHEMBL20957063 0.91 RNASE1 (0.49) RNASE1TYMSTK1TOP2ATYMP
SCHEMBL8744505 0.91 TK1 (0.43) RNASE1TYMSTK1TYMP
SCHEMBL4808054 0.91 RNASE1 (0.63) RNASE1TK1TK2

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-6891033-B2 Chemical intermediates such as 3-N-Boc-1-(5-O-(4,4'-dimethoxytrityl)-3-O-nosyl-2-deoxy-beta-D -lyxofuranosyl)thymine; use of final compound in positron emission tomography (PET) DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OFFENTLICHEN RECHTS (DE) 2005-05-10 US disclosed
US-6875860-B2 Method for purifying 5′ -protected thymidines and novel derivatives thereof MITSUI CHEMICALS, INC. (JP) 2005-04-05 US disclosed
EP-1258489-B1 Method for purifying 5'-protected thymidines MITSUI CHEMICALS INC (JP) 2004-09-08 EP disclosed
US-20040110720-A1 Labelling compounds for the simple synthesis of 3'-(18f)fluoro-3'-deoxy thymidine and a method for the production thereof DEUTCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES O'FFENTLICHEN RECHTS (DE) 2004-06-10 US disclosed
US-20030004331-A1 Method for purifying 5' -protected thymidines and novel derivatives thereof MITSUI CHEMICALS, INC. (JP) 2003-01-02 US disclosed
EP-1258489-A1 Method for purifying 5'-protected thymidines Mitsui Chemicals, Inc. (JP) 2002-11-20 EP 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-20030004331-A1 Method for purifying 5' -protected thymidines and novel derivatives thereof TYMP, TYMS, DUT RNASE1 601/4885TYMS 2/4885TK1 4/4885
US-20040110720-A1 Labelling compounds for the simple synthesis of 3'-(18f)fluoro-3'-deoxy thymidine and a method for the production thereof TK1, TYMS, TYMP RNASE1 873/4885TYMS 2/4885TK1 1/4885

“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.