SCHEMBL14666331

SCHEMBL14666331

COC(=O)Cc1cc(CO)c(O)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.53
ALOX5 P09917 3/20 0.48
TRPV1 Q8NER1 2/20 0.47
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
GFER P55789 1/20 0.42
TNKS2 Q9H2K2 1/20 0.41
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
KMT2A Q03164 2/20 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
SCHEMBL3456779 0.87 HSP90AB1 (0.63) HSP90AB1ALOX5NFKB1CYP4F2CYP4A11
SCHEMBL14666294 0.86 GAA (0.55) ALOX5TRPV1NFKB1NFKB2RELA
SCHEMBL14666208 0.84 HSP90AB1 (0.49) HSP90AB1ALOX5CYP4F2CYP4A11ALDH1A1
SCHEMBL829369 0.81 KDM4E (0.52) ALOX5TRPV1NFKB1NFKB2RELA
SCHEMBL211114 0.80 SHBG (0.58) ALOX5TRPV1NFKB1NFKB2RELA
SCHEMBL930805 0.80 TNKS2 (0.56) ALOX5TRPV1NFKB1NFKB2RELA
SCHEMBL1525224 0.79 HSP90AB1 (0.54) HSP90AB1ALOX5TRPV1ALDH1A1GAA
SCHEMBL11215998 0.79 ALDH1A1 (0.58) HSP90AB1ALOX5NFKB1CYP4F2CYP4A11
SCHEMBL6407064 0.79 CYP4F2 (0.51) HSP90AB1NFKB1CYP4F2CYP4A11ALDH1A1
SCHEMBL28002484 0.79 HSP90AB1 (0.54) HSP90AB1ALOX5TRPV1NFKB1LMNA

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 HSP90AB1 1297/4885ALOX5 2982/4885TRPV1 1871/4885

“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.