SCHEMBL4575571

SCHEMBL4575571

O=Cc1ccc(CO)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH5A1 P51649 1/20 0.62
ABAT P80404 1/20 0.62
VCAM1 P19320 1/20 0.57
ALDH3A1 P30838 2/20 0.53
ALDH1A1 P00352 7/20 0.49
MAPT P10636 5/20 0.49
ALDH1A3 P47895 1/20 0.49
XDH P47989 1/20 0.49
TTR P02766 1/20 0.43
LMNA P02545 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 2/20 0.41
SNCA P37840 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EGFR P00533 1/20 0.39

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
SCHEMBL7288138 0.86 ALDH5A1 (0.57) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL2924523 0.84 ALDH3A1 (0.62) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL14548858 0.83 ALDH5A1 (0.57) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL6355056 0.83 ALDH5A1 (0.57) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL8759780 0.83 ALDH5A1 (0.57) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL6355401 0.82 CYP1A2 (0.65) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL27780985 0.81 ALDH5A1 (0.56) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL5981396 0.81 ALDH5A1 (0.55) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL31442858 0.81 ALDH5A1 (0.55) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL6045765 0.80 ALDH5A1 (0.54) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017132484-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE ACatechol, Inc. (US) 2017-08-03 WO disclosed
US-20170217997-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE ORMCO CORPORATION 2017-08-03 US disclosed
US-20080221303-A1 Method for the Preparation of Peptide-Oligonucleotide Conjugates FRUTAROM LTD. (IL) 2008-09-11 US disclosed
EP-1725250-A2 METHOD FOR THE PREPARATION OF PEPTIDE-OLIGONUCLEOTIDE CONJUGATES FRUTAROM LTD. (IL) 2006-11-29 EP disclosed
WO-2005076744-A2 METHOD FOR THE PREPARATION OF PEPTIDE-OLIGONUCLEOTIDE CONJUGATES FRUTAROM LTD. (IL) 2005-08-25 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-20170217997-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE SP1, GPER1, ESR1 ALDH5A1 2751/4885ABAT 4582/4885VCAM1 1633/4885
US-20080221303-A1 Method for the Preparation of Peptide-Oligonucleotide Conjugates VIP, PTMS, SSTR4 ALDH5A1 4427/4885ABAT 3436/4885VCAM1 1128/4885

“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.