SCHEMBL6046977

SCHEMBL6046977

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
MAPT P10636 7/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 3/20 0.35
THRB P10828 1/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
CYP3A4 P08684 1/20 0.34

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
SCHEMBL6046959 0.88 POLB (0.42) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL6046965 0.86 NT5E (0.40) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL6046960 0.84 POLB (0.35) POLBMAPTALDH1A1
SCHEMBL6891890 0.83 POLB (0.48) POLBMAPTALDH1A1LMNAABL1
SCHEMBL6047022 0.82 POLB (0.34) POLB
SCHEMBL6890005 0.81 POLB (0.50) POLBMAPTALDH1A1LMNAABL1
SCHEMBL6046996 0.78 POLB (0.32) POLBMAPT
SCHEMBL6047025 0.77 POLB (0.31) POLB
SCHEMBL6890940 0.75 TYMP (0.41) ALDH1A1
SCHEMBL7047161 0.74 POLB (0.39) POLBALDH1A1LMNA

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 POLB 220/4885MAPT 4760/4885ALDH1A1 3207/4885

“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.