SCHEMBL5523152

SCHEMBL5523152

CCOC(=O)C(C)=Cc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.52
ALDH1A1 P00352 5/20 0.50
LMNA P02545 4/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 5/20 0.47
MIF P14174 1/20 0.47
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 1/20 0.41
ERN1 O75460 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL5523145 1.00 GLO1 (0.52) GLO1ALDH1A1LMNAKMT2AKDM4E
SCHEMBL9363003 0.90 GLO1 (0.52) GLO1ALDH1A1LMNAKMT2AKDM4E
SCHEMBL12992273 0.87 GLO1 (0.52) GLO1ALDH1A1LMNAKMT2AKDM4E
SCHEMBL14452235 0.86 ALDH1A1 (0.49) GLO1ALDH1A1LMNAKMT2AKDM4E
SCHEMBL5512286 0.86 ALDH1A1 (0.49) GLO1ALDH1A1LMNAKMT2AKDM4E
SCHEMBL14384272 0.85 GLO1 (0.50) GLO1ALDH1A1LMNAKMT2AKDM4E
SCHEMBL5517865 0.81 ERN1 (0.47) GLO1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL3034226 0.80 GLO1 (0.54) GLO1ALDH1A1LMNAKMT2AKDM4E
SCHEMBL3034223 0.80 GLO1 (0.54) GLO1ALDH1A1LMNAKMT2AKDM4E
SCHEMBL7877613 0.79 GLO1 (0.57) GLO1ALDH1A1LMNAKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249629-A1 Viral Polymerase Inhibitors BEAULIEU PIERRE 2007-10-25 US disclosed
US-20070249629-A1 Viral Polymerase Inhibitors BEAULIEU PIERRE 2007-10-25 US disclosed
US-7241801-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 US disclosed
EP-1771442-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-11 EP disclosed
US-20060052418-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-09 US disclosed
WO-2006007693-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-26 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 (2 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-20070249629-A1 Viral Polymerase Inhibitors RPP30, POLR2A, POLR1E GLO1 4322/4885ALDH1A1 2153/4885LMNA 3703/4885
US-20060052418-A1 Viral polymerase inhibitors RPP30, POLR2A, POLR1E GLO1 4322/4885ALDH1A1 2153/4885LMNA 3703/4885

“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.