SCHEMBL6831448

SCHEMBL6831448

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TK2 O00142 3/20 0.36
RNASE1 P07998 1/20 0.35
PLD2 O14939 1/20 0.34
PLD1 Q13393 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TERT O14746 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
TK1 P04183 1/20 0.32

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
SCHEMBL7207621 0.99 RNASE1 (0.37) TK2RNASE1PLD2PLD1TP53
SCHEMBL6836547 0.92 MAPT (0.36) RNASE1TP53MAPTTERT
SCHEMBL6831427 0.90 RNASE1 (0.34) TK2RNASE1TK1
SCHEMBL6834978 0.90 RNASE1 (0.34) TK2RNASE1TK1
SCHEMBL6834901 0.87 RNASE1 (0.32) TK2RNASE1TK1
SCHEMBL6831414 0.81 TK1 (0.38) TK2TK1
SCHEMBL6831419 0.81 TK1 (0.38) TK2TK1
SCHEMBL7207626 0.75 TK2 (0.36) TK2PLD2PLD1TK1
SCHEMBL2034479 0.74 RNASE1 (0.38) TK2RNASE1TK1
SCHEMBL17921691 0.73 RNASE1 (0.40) TK2RNASE1TK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082774-A1 Novel phosphate and thiophosphate protecting groups ISIS PHARMACEUTICALS, INC. 2004-04-29 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-20040082774-A1 Novel phosphate and thiophosphate protecting groups TYMP, MTAP, PPIP5K2 TK2 116/4885RNASE1 118/4885PLD2 2670/4885

“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.