SCHEMBL17458659

SCHEMBL17458659

CCOc1ccc([N+](=O)[O-])c(C(O)C(C)(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.57
ALDH1A1 P00352 5/20 0.57
LMNA P02545 2/20 0.57
KMT2A Q03164 5/20 0.44
MAPK1 P28482 4/20 0.44
MEN1 O00255 4/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 8/20 0.44
NPC1 O15118 7/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
PKM P14618 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL17466584 1.00 MAPT (0.57) MAPTALDH1A1LMNAKMT2AMAPK1
SCHEMBL16094850 1.00 MAPT (0.57) MAPTALDH1A1LMNAKMT2AMAPK1
SCHEMBL14782263 0.86 MEN1 (0.45) MAPTALDH1A1LMNAKMT2AMAPK1
SCHEMBL14782161 0.86 MEN1 (0.45) MAPTALDH1A1LMNAKMT2AMAPK1
SCHEMBL14947933 0.86 MEN1 (0.45) MAPTALDH1A1LMNAKMT2AMAPK1
SCHEMBL16956015 0.78 MAPT (0.61) MAPTALDH1A1LMNAKMT2AMAPK1
SCHEMBL6677275 0.77 MAPT (0.73) MAPTALDH1A1LMNAKMT2AMAPK1
SCHEMBL11819120 0.76 MAPT (0.67) MAPTALDH1A1LMNAKMT2AMAPK1
SCHEMBL16950814 0.76 MAPT (0.58) MAPTALDH1A1LMNAKMT2AMAPK1
SCHEMBL13900800 0.75 MAPT (0.55) MAPTALDH1A1LMNAKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160024573-A1 PHOTOCLEAVABLE DEOXYNUCLEOTIDES WITH HIGH-RESOLUTION CONTROL OF DEPROTECTION KINETICS IBIS BIOSCIENCES, INC. 2016-01-28 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-20160024573-A1 PHOTOCLEAVABLE DEOXYNUCLEOTIDES WITH HIGH-RESOLUTION CONTROL OF DEPROTECTION KINETICS UNG, POLN, POLL MAPT 2433/4885ALDH1A1 2104/4885LMNA 573/4885

“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.