SCHEMBL754748

SCHEMBL754748

CC(=O)c1ccccc1C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 6/20 0.55
MAPT P10636 5/20 0.55
KDM4E B2RXH2 3/20 0.55
GAA P10253 3/20 0.53
PKM P14618 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PPARG P37231 1/20 0.51
BCL9 O00512 1/20 0.50
CTNNB1 P35222 1/20 0.50
ALOX5 P09917 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.49

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
SCHEMBL28238437 0.85 ALDH1A1 (0.55) KMT2AALDH1A1MAPTKDM4EGAA
SCHEMBL28491071 0.83 KMT2A (0.62) KMT2AALDH1A1MAPTKDM4EGAA
SCHEMBL2823735 0.83 ALDH1A1 (0.68) KMT2AALDH1A1MAPTKDM4EGAA
SCHEMBL11873963 0.82 ALDH1A1 (0.55) KMT2AALDH1A1MAPTKDM4EGAA
SCHEMBL4256409 0.82 RAB9A (0.64) KMT2AALDH1A1MAPTKDM4EGAA
SCHEMBL30258384 0.82 RAB9A (0.64) KMT2AALDH1A1MAPTKDM4EGAA
SCHEMBL28659908 0.81 ALDH1A1 (0.52) KMT2AALDH1A1MAPTKDM4EGAA
SCHEMBL4452103 0.81 ALDH1A1 (0.53) KMT2AALDH1A1MAPTKDM4EGAA
SCHEMBL12229208 0.80 MAPT (0.51) KMT2AALDH1A1MAPTKDM4EGAA
SCHEMBL23276221 0.80 HSD17B10 (0.63) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2

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-8138330-B2 Solid phase synthesis via deblocking immobilized nucleoside, then coupling acyl protected nucleoside phosphoramidite SIGMA-ALDRICH CO. LLC (US) 2012-03-20 US disclosed
US-8138330-B2 Solid phase synthesis via deblocking immobilized nucleoside, then coupling acyl protected nucleoside phosphoramidite SIGMA-ALDRICH CO. LLC (US) 2012-03-20 US disclosed
US-20080064867-A1 PROCESS FOR THE SYNTHESIS OF OLIGONUCLEOTIDES SIGMA ALDRICH COMPANY (US) 2008-03-13 US disclosed
US-20080064867-A1 PROCESS FOR THE SYNTHESIS OF OLIGONUCLEOTIDES SIGMA ALDRICH COMPANY (US) 2008-03-13 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-20080064867-A1 PROCESS FOR THE SYNTHESIS OF OLIGONUCLEOTIDES RNGTT, DUT, ADAR KMT2A 1866/4885ALDH1A1 2127/4885MAPT 3910/4885

“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.