SCHEMBL1246020

SCHEMBL1246020

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.69
ADRB1 P08588 6/20 0.69
ADRB3 P13945 6/20 0.69
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
ALOX5 P09917 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CES1 P23141 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PKM P14618 1/20 0.46
POLB P06746 1/20 0.46
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45
GSK3B P49841 1/20 0.45

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
SCHEMBL1246019 1.00 ADRB2 (0.69) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL1246010 1.00 ADRB2 (0.69) ADRB2ADRB1ADRB3KMT2AMEN1
Formic Acid SCHEMBL28823054 0.94 ADRB2 (0.63) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL1244738 0.85 KMT2A (0.57) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL1244737 0.85 KMT2A (0.57) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL4983780 0.85 ADRB2 (0.55) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL19206103 0.84 ADRB2 (0.57) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL8405253 0.84 ADRB2 (0.64) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL2336328 0.83 ADRB2 (0.71) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL11774862 0.82 ADRB2 (0.55) ADRB2ADRB1ADRB3KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3948972-A WITH GLYCEROL, ACID CATALYST BAKER JAMES ALBERT 1976-04-06 US claimed
WO-2011012400-A2 NITRIC OXIDE RELEASING NAPROXEN NICOX S.A. (FR) 2011-02-03 WO disclosed
US-20080242722-A1 Combination Therapy for Treating Cyclooxygenase-2 Mediated Diseases or Conditions in Patients at Risk of Thrombotic Cardiovascular Events DUFRESNE CLAUDE 2008-10-02 US disclosed
US-3948972-A WITH GLYCEROL, ACID CATALYST BAKER JAMES ALBERT 1976-04-06 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-20080242722-A1 Combination Therapy for Treating Cyclooxygenase-2 Mediated Diseases or Conditions in Patients at Risk of Thrombotic Cardiovascular Events PTGS2, PTGS1, PTGES2 ADRB2 2038/4885ADRB1 2976/4885ADRB3 3136/4885

“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.