SCHEMBL6046956

SCHEMBL6046956

CCC(O[C]=O)c1ccc2c(c1[N+](=O)[O-])OCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49
TXNRD2 Q9NNW7 1/20 0.49
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
AOC3 Q16853 1/20 0.35
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
MCL1 Q07820 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SRC P12931 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL774829 0.85 TXNRD1 (0.54) TXNRD1TXNRD3TXNRD2ALDH1A1AOC3
SCHEMBL1898972 0.79 TXNRD1 (0.49) TXNRD1TXNRD3TXNRD2ALDH1A1LMNA
SCHEMBL15049954 0.78 TXNRD1 (0.48) TXNRD1TXNRD3TXNRD2ALDH1A1MAPT
SCHEMBL16724095 0.74 TXNRD1 (0.52) TXNRD1TXNRD3TXNRD2ALDH1A1LMNA
SCHEMBL6054284 0.74 TXNRD1 (0.55) TXNRD1TXNRD3TXNRD2ALDH1A1LMNA
SCHEMBL3328445 0.73 TXNRD1 (0.66) TXNRD1TXNRD3TXNRD2ALDH1A1AOC3
SCHEMBL6038159 0.72 TXNRD1 (0.56) TXNRD1TXNRD3TXNRD2AOC3MAPT
SCHEMBL16722824 0.71 TXNRD1 (0.51) TXNRD1TXNRD3TXNRD2ALDH1A1AOC3
SCHEMBL3489697 0.70 TXNRD1 (0.50) TXNRD1TXNRD3TXNRD2ALDH1A1LMNA
SCHEMBL5239589 0.69 TXNRD1 (0.68) TXNRD1TXNRD3TXNRD2ALDH1A1MAPT

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 TXNRD1 3244/4885TXNRD3 2182/4885TXNRD2 3414/4885

“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.