SCHEMBL13347474

SCHEMBL13347474

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

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
CYP1A2 P05177 2/20 0.49
TSHR P16473 1/20 0.47
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 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
SCHEMBL5583434 0.88 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRGAASMN1; SMN2
SCHEMBL5583400 0.86 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRGAASMN1; SMN2
SCHEMBL27889264 0.86 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRGAASMN1; SMN2
SCHEMBL4361293 0.84 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRGAASMN1; SMN2
SCHEMBL5052181 0.84 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRGAASMN1; SMN2
SCHEMBL29573208 0.84 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRGAASMN1; SMN2
SCHEMBL12894188 0.84 ALDH1A1 (0.46) ALDH1A1CYP1A2TSHRGAASMN1; SMN2
SCHEMBL14733944 0.84 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRGAASMN1; SMN2
SCHEMBL6888699 0.83 ALDH1A1 (0.45) ALDH1A1CYP1A2TSHRGAASMN1; SMN2
SCHEMBL12894194 0.82 ALDH1A1 (0.43) ALDH1A1GAASMN1; SMN2NPC1NFKB1

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-7713634-B2 Non-linear silicon compound, method of manufacturing oligomer probe array using the same, substrate for oligomer probe array with the same, and oligomer probe array with the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2010-05-11 US disclosed
US-7713634-B2 Non-linear silicon compound, method of manufacturing oligomer probe array using the same, substrate for oligomer probe array with the same, and oligomer probe array with the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2010-05-11 US disclosed
US-20080057322-A1 Non-Linear Silicon Compound, Method of Manufacturing Oligomer Probe Array Using the Same, Substrate For Oligomer Probe Array With the Same, and Oligomer Probe Array With the Same SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-03-06 US disclosed
US-20080057322-A1 Non-Linear Silicon Compound, Method of Manufacturing Oligomer Probe Array Using the Same, Substrate For Oligomer Probe Array With the Same, and Oligomer Probe Array With the Same SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-03-06 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-20080057322-A1 Non-Linear Silicon Compound, Method of Manufacturing Oligomer Probe Array Using the Same, Substrate For Oligomer Probe Array With the Same, and Oligomer Probe Array With the Same NONO, SPTBN1, SKIC8 ALDH1A1 4399/4885CYP1A2 4678/4885TSHR 3504/4885

“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.