SCHEMBL19193451

SCHEMBL19193451

CC(C)C(OC(=O)C(C)(C)C)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 1/20 0.45
CYP1A2 P05177 3/20 0.44
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 2/20 0.37
HSD17B10 Q99714 1/20 0.37
GLA P06280 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL5583390 0.86 ALDH1A1 (0.52) ALDH1A1NPSR1HTTCYP1A2TSHR
SCHEMBL19193411 0.84 ALDH1A1 (0.51) ALDH1A1NPSR1HTTCYP1A2TSHR
SCHEMBL2066851 0.76 ALDH1A1 (0.50) ALDH1A1CYP1A2TSHRSMN1; SMN2GAA
SCHEMBL5583367 0.73 ALDH1A1 (0.51) ALDH1A1NPSR1HTTCYP1A2TSHR
SCHEMBL30800630 0.73 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRSMN1; SMN2GAA
SCHEMBL254406 0.73 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRSMN1; SMN2GAA
SCHEMBL1665948 0.72 ALDH1A1 (0.53) ALDH1A1NPSR1HTTCYP1A2TSHR
SCHEMBL10178099 0.72 ALDH1A1 (0.53) ALDH1A1NPSR1HTTCYP1A2TSHR
SCHEMBL30111358 0.72 ALDH1A1 (0.53) ALDH1A1NPSR1HTTCYP1A2TSHR
SCHEMBL1665793 0.72 ALDH1A1 (0.53) ALDH1A1NPSR1HTTCYP1A2TSHR

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-20170217997-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE ORMCO CORPORATION 2017-08-03 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-20170217997-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE SP1, GPER1, ESR1 ALDH1A1 869/4885NPSR1 1766/4885HTT 4473/4885

“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.