SCHEMBL1938668

SCHEMBL1938668

COc1cc(/C=C/C(=O)c2c(O)cc(O)cc2OC)ccc1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.83
KMT2A Q03164 5/20 0.83
MAPT P10636 4/20 0.83
TDP1 Q9NUW8 4/20 0.83
KDM4E B2RXH2 4/20 0.83
CYP3A4 P08684 2/20 0.83
HPGD P15428 2/20 0.83
MCL1 Q07820 1/20 0.83
KCNA3 P22001 1/20 0.74
NPSR1 Q6W5P4 1/20 0.74
ABCG2 Q9UNQ0 2/20 0.70
NFKB1 P19838 3/20 0.68
NFKB2 Q00653 3/20 0.68
RELA Q04206 3/20 0.68
CXCL12 P48061 1/20 0.67
USP2 O75604 1/20 0.67
ALDH1A1 P00352 1/20 0.67
TP53 P04637 1/20 0.67
ALOX15 P16050 1/20 0.67
MAPK1 P28482 1/20 0.67

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
SCHEMBL1938672 1.00 MEN1 (0.83) MEN1KMT2AMAPTTDP1KDM4E
SCHEMBL25208499 0.94 MEN1 (0.78) MEN1KMT2AMAPTTDP1KDM4E
SCHEMBL25208498 0.94 MEN1 (0.78) MEN1KMT2AMAPTTDP1KDM4E
SCHEMBL25202026 0.92 ABCG2 (0.83) MEN1KMT2AMAPTTDP1KDM4E
SCHEMBL31384903 0.92 ABCG2 (0.83) MEN1KMT2AMAPTTDP1KDM4E
SCHEMBL5084292 0.91 CYP3A4 (1.00) MEN1KMT2AMAPTTDP1KDM4E
SCHEMBL30383925 0.91 CYP3A4 (1.00) MEN1KMT2AMAPTTDP1KDM4E
SCHEMBL5084287 0.91 CYP3A4 (1.00) MEN1KMT2AMAPTTDP1KDM4E
SCHEMBL31235473 0.89 MAPT (0.83) MEN1KMT2AMAPTTDP1KDM4E
SCHEMBL29056496 0.89 MAPT (0.83) MEN1KMT2AMAPTTDP1KDM4E

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 MEN1 37/4885KMT2A 1587/4885MAPT 2194/4885

“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.