SCHEMBL6046965

SCHEMBL6046965

CC(C)(C)c1ccc(OCC(=O)Nc2ccn([C@H]3C[C@H](O)[C@@H](COC(=O)Oc4ccc([N+](=O)[O-])cc4)O3)c(=O)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.40
MAPT P10636 4/20 0.39
POLB P06746 4/20 0.39
ALDH1A1 P00352 2/20 0.39
TYMS P04818 1/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
P2RY2 P41231 1/20 0.37
P2RY4 P51582 1/20 0.37
P2RY6 Q15077 1/20 0.37
PKM P14618 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL6046977 0.86 POLB (0.50) MAPTPOLBALDH1A1MEN1CYP1A2
SCHEMBL6890005 0.83 POLB (0.50) NT5EMAPTPOLBALDH1A1LMNA
SCHEMBL6046996 0.82 POLB (0.32) MAPTPOLB
SCHEMBL6046959 0.81 POLB (0.42) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL6047025 0.80 POLB (0.31) POLB
SCHEMBL6046979 0.78 TYMP (0.45) NT5EPOLBALDH1A1TYMSP2RY6
SCHEMBL6046960 0.78 POLB (0.35) MAPTPOLBALDH1A1
SCHEMBL6890238 0.77 POLB (0.39) NT5EMAPTPOLBP2RY2P2RY4
SCHEMBL6047022 0.76 POLB (0.34) POLB
SCHEMBL6890940 0.75 TYMP (0.41) NT5EALDH1A1P2RY2P2RY4P2RY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060154256-A1 Method for covalently attaching nucleosides and/or nucleotides on surfaces and method for determining coupling yields in the synthesis of nucleotides CHEMOGENIX GMBH (DE) 2006-07-13 US disclosed
EP-1438322-A2 METHOD FOR COVALENTLY ATTACHING NUCLEOSIDES AND/OR NUCLEOTIDES ON SURFACES AND METHOD FOR DETERMINING COUPLING YIELDS IN THE SYNTHESIS OF NUCLEOTIDES Chemogenix GmbH (DE) 2004-07-21 EP disclosed
WO-2003035664-A2 METHOD FOR COVALENTLY ATTACHING NUCLEOSIDES AND/OR NUCLEOTIDES ON SURFACES AND METHOD FOR DETERMINING COUPLING YIELDS IN THE SYNTHESIS OF NUCLEOTIDES CHEMOGENIX GMBH (DE) 2003-05-01 WO 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-20060154256-A1 Method for covalently attaching nucleosides and/or nucleotides on surfaces and method for determining coupling yields in the synthesis of nucleotides NUDT1, PNP, NME2 NT5E 7/4885MAPT 4760/4885POLB 220/4885

“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.