SCHEMBL14666294

SCHEMBL14666294

COc1cc(CC(=O)O)cc(CO)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.55
TSHR P16473 2/20 0.55
NFKB1 P19838 2/20 0.55
ALDH1A1 P00352 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALOX5 P09917 3/20 0.46
CA5A P35218 2/20 0.46
TRPV1 Q8NER1 1/20 0.45
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
PKM P14618 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43

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
SCHEMBL1278855 0.86 GAA (0.66) GAATSHRNFKB1ALDH1A1TDP1
SCHEMBL14666331 0.86 HSP90AB1 (0.53) GAATSHRNFKB1ALDH1A1TDP1
SCHEMBL17306533 0.84 ALOX5 (0.55) GAATSHRNFKB1ALDH1A1TDP1
SCHEMBL12416107 0.84 GAA (0.51) GAATSHRNFKB1ALDH1A1TDP1
SCHEMBL8072165 0.83 GAA (0.67) GAATSHRNFKB1ALDH1A1TDP1
SCHEMBL31103566 0.83 GAA (0.67) GAATSHRNFKB1ALDH1A1TDP1
SCHEMBL829369 0.83 KDM4E (0.52) GAANFKB1ALOX5TRPV1NFKB2
SCHEMBL5490546 0.81 GAA (0.60) GAATSHRNFKB1ALDH1A1TDP1
SCHEMBL930805 0.81 TNKS2 (0.56) NFKB1ALOX5TRPV1NFKB2RELA
SCHEMBL211114 0.81 SHBG (0.58) NFKB1ALOX5TRPV1NFKB2RELA

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-20130028837-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2013-01-31 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-20130028837-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 GAA 3445/4885TSHR 2215/4885NFKB1 3482/4885

“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.