SCHEMBL1938352

SCHEMBL1938352

COc1ccc(CCC(=O)c2c(O)cc(O)cc2OC)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 8/20 0.84
SLC5A2 P31639 7/20 0.84
NFKB1 P19838 2/20 0.76
NFKB2 Q00653 2/20 0.76
RELA Q04206 2/20 0.76
CYP19A1 P11511 3/20 0.69
MAPT P10636 4/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
GAA P10253 3/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2D6 P10635 2/20 0.61
CYP2C19 P33261 2/20 0.61
HPGD P15428 2/20 0.61
SLC28A3 Q9HAS3 2/20 0.61
KDM4E B2RXH2 1/20 0.61
SLC16A3 O15427 1/20 0.61
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61
TTR P02766 1/20 0.61

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
SCHEMBL799745 0.93 SLC5A1 (0.72) SLC5A1SLC5A2NFKB1NFKB2RELA
SCHEMBL2282039 0.93 NFKB1 (0.83) SLC5A1SLC5A2NFKB1NFKB2RELA
SCHEMBL457127 0.91 SLC5A1 (1.00) SLC5A1SLC5A2NFKB1NFKB2RELA
SCHEMBL1938569 0.89 SLC5A1 (0.73) SLC5A1SLC5A2NFKB1NFKB2RELA
SCHEMBL6398347 0.87 NFKB1 (0.74) SLC5A1SLC5A2NFKB1NFKB2RELA
SCHEMBL10962154 0.87 SLC5A1 (0.70) SLC5A1SLC5A2NFKB1NFKB2RELA
SCHEMBL5084404 0.87 NFKB1 (1.00) SLC5A1SLC5A2NFKB1NFKB2RELA
SCHEMBL10965344 0.86 NFKB1 (0.67) SLC5A1SLC5A2NFKB1NFKB2RELA
SCHEMBL11297508 0.85 NFKB1 (0.70) SLC5A1SLC5A2NFKB1NFKB2RELA
SCHEMBL10962223 0.85 SLC5A1 (0.72) SLC5A1SLC5A2NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9061984-B2 Compounds related to chalcones and benzothienopyrimidines, their synthesis, and uses to treat diseases UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2015-06-23 US disclosed
US-9061984-B2 Compounds related to chalcones and benzothienopyrimidines, their synthesis, and uses to treat diseases UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2015-06-23 US disclosed
US-9061984-B2 Compounds related to chalcones and benzothienopyrimidines, their synthesis, and uses to treat diseases UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2015-06-23 US disclosed
US-20110190325-A1 COMPOUNDS, THEIR SYNTHESES, AND THIER USES THE JOHNS HOPKINS UNIVERSITY 2011-08-04 US disclosed
US-20110190325-A1 COMPOUNDS, THEIR SYNTHESES, AND THIER USES THE JOHNS HOPKINS UNIVERSITY 2011-08-04 US disclosed
US-20110190325-A1 COMPOUNDS, THEIR SYNTHESES, AND THIER USES THE JOHNS HOPKINS UNIVERSITY 2011-08-04 US disclosed
EP-2330906-A1 COMPOUNDS, THEIR SYNTHESES, AND THEIR USES University Of Louisville Research Foundation, Inc. (US) 2011-06-15 EP disclosed
WO-2010019861-A1 COMPOUNDS, THEIR SYNTHESES, AND THEIR USES UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2010-02-18 WO disclosed
WO-2010019861-A1 COMPOUNDS, THEIR SYNTHESES, AND THEIR USES UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2010-02-18 WO 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-20110190325-A1 COMPOUNDS, THEIR SYNTHESES, AND THIER USES TERT, TYMS, NISCH SLC5A1 1429/4885SLC5A2 956/4885NFKB1 2624/4885

“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.