SCHEMBL7094597

SCHEMBL7094597

O=C(OCC(OCc1ccccc1)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
RAB9A P51151 4/20 0.57
NPC1 O15118 2/20 0.57
ALOX5 P09917 1/20 0.53
ADRB2 P07550 2/20 0.51
ADRB1 P08588 2/20 0.51
ADRB3 P13945 2/20 0.51
BCHE P06276 1/20 0.49
ALDH1A1 P00352 3/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
TP53 P04637 1/20 0.46

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
SCHEMBL5662717 0.86 MAPT (0.60) KMT2AMEN1RAB9AADRB2ADRB1
SCHEMBL523154 0.85 KMT2A (0.67) KMT2AMEN1RAB9ANPC1ALOX5
SCHEMBL5665910 0.85 KMT2A (0.66) KMT2AMEN1RAB9ANPC1ADRB2
SCHEMBL5665304 0.81 MAPT (0.54) KMT2ARAB9ANPC1ADRB2ADRB1
SCHEMBL5663767 0.81 ADRB2 (0.59) KMT2AMEN1RAB9ANPC1ALOX5
SCHEMBL7090359 0.81 RAB9A (0.54) KMT2AMEN1RAB9ANPC1ADRB2
SCHEMBL5663936 0.81 KMT2A (0.53) KMT2AMEN1RAB9ANPC1ADRB2
SCHEMBL5663592 0.80 L3MBTL1 (0.51) KMT2AMEN1RAB9ANPC1BCHE
SCHEMBL8358751 0.79 KMT2A (0.67) KMT2AMEN1RAB9ANPC1ALOX5
SCHEMBL7089906 0.79 NPC1 (0.56) KMT2ARAB9ANPC1ADRB2ADRB1

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 KMT2A 624/4885MEN1 2878/4885RAB9A 3285/4885

“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.