SCHEMBL10016124

SCHEMBL10016124

Cc1c(O)cc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)c2cc(O)c(O)c(O)c2)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 10/20 0.54
TAS1R2 Q8TE23 10/20 0.54
TAS1R1 Q7RTX1 9/20 0.54
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 1/20 0.51
SERPINE1 P05121 2/20 0.44
NSD2 O96028 1/20 0.43
LMNA P02545 1/20 0.43
ALPL P05186 1/20 0.43
POLB P06746 1/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
CASP6 P55212 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
SCHEMBL10016125 1.00 TAS1R3 (0.54) TAS1R3TAS1R2TAS1R1KDM4EALDH1A1
SCHEMBL13240250 1.00 TAS1R3 (0.54) TAS1R3TAS1R2TAS1R1KDM4EALDH1A1
SCHEMBL15069950 0.92 ALDH1A1 (0.58) TAS1R3TAS1R2TAS1R1KDM4EALDH1A1
SCHEMBL15069964 0.92 ALDH1A1 (0.58) TAS1R3TAS1R2TAS1R1KDM4EALDH1A1
SCHEMBL15069968 0.92 ALDH1A1 (0.58) TAS1R3TAS1R2TAS1R1KDM4EALDH1A1
SCHEMBL14194895 0.92 ALDH1A1 (0.58) TAS1R3TAS1R2TAS1R1KDM4EALDH1A1
SCHEMBL10016132 0.89 TAS1R3 (0.52) TAS1R3TAS1R2TAS1R1KDM4EALDH1A1
SCHEMBL10016130 0.89 TAS1R3 (0.52) TAS1R3TAS1R2TAS1R1KDM4EALDH1A1
SCHEMBL108094 0.76 HDAC6 (0.55) TAS1R3TAS1R2TAS1R1KDM4EGAA
SCHEMBL2601943 0.76 HDAC6 (0.55) TAS1R3TAS1R2TAS1R1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9399631-B2 Polyphenol proteasome inhibitors, synthesis, and methods of use UNIVERSITY OF SOUTH FLORIDA (US) 2016-07-26 US disclosed
US-20140045931-A1 POLYPHENOL PROTEASOME INHIBITORS, SYNTHESIS, AND METHODS OF USE THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2014-02-13 US disclosed
US-8563607-B2 Polyphenol proteasome inhibitors, synthesis, and methods of use UNIVERSITY OF SOUTH FLORIDA (US) 2013-10-22 US disclosed
US-20120029067-A1 Polyphenol Proteasome Inhibitors, Synthesis, and Methods of Use UNIVERSITY OF SOUTH FLORIDA (US) 2012-02-02 US disclosed
US-7767711-B2 Polyphenol proteasome inhibitors, synthesis, and methods of use UNIVERSITY OF SOUTH FLORIDA (US) 2010-08-03 US disclosed
US-7358383-B2 Polyphenol proteasome inhibitors, synthesis, and methods of use UNIVERSITY OF SOUTH FLORIDA (US) 2008-04-15 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 (2 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-20140045931-A1 POLYPHENOL PROTEASOME INHIBITORS, SYNTHESIS, AND METHODS OF USE PSMC1, PSMB5, PSMC5 TAS1R3 4317/4885TAS1R2 4468/4885TAS1R1 4297/4885
US-20120029067-A1 Polyphenol Proteasome Inhibitors, Synthesis, and Methods of Use PSMC1, PSMB5, PSMC5 TAS1R3 4317/4885TAS1R2 4468/4885TAS1R1 4297/4885

“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.