SCHEMBL7092732

SCHEMBL7092732

COC(COC(=O)c1ccc([N+](=O)[O-])cc1)OC

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.61
ADRB1 P08588 2/20 0.61
ADRB3 P13945 2/20 0.61
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 1/20 0.52
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 1/20 0.51
ALOX5 P09917 1/20 0.50
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPK1 P28482 1/20 0.49
KCNJ1 P48048 1/20 0.48
KCNH2 Q12809 1/20 0.48
CES1 P23141 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL5663767 0.85 ADRB2 (0.59) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL28803505 0.85 MAPT (0.51) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL7023482 0.84 ADRB2 (0.68) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL10439554 0.84 ADRB2 (0.68) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL2336328 0.83 ADRB2 (0.71) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL5664025 0.83 ADRB2 (0.63) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL7089243 0.82 ADRB2 (0.60) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL8446052 0.82 ADRB2 (0.61) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL11615833 0.81 ADRB2 (0.64) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL9589434 0.81 MAPT (0.66) ADRB2ADRB1ADRB3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde PHARMASSET, INC. 2003-08-28 US claimed
US-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde PHARMASSET, INC. 2003-08-28 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-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde DERA, DPYD, DHPS ADRB2 2550/4885ADRB1 2164/4885ADRB3 2653/4885

“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.