SCHEMBL6040741

SCHEMBL6040741

COc1cc(O)c(-c2cccs2)cc1C=O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 12/20 0.61
TNFRSF1A P19438 5/20 0.49
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43
TLR6 Q9Y2C9 1/20 0.43
RPS6KB2 Q9UBS0 1/20 0.42

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
SCHEMBL5565309 0.90 ERN1 (0.60) ERN1TNFRSF1AALDH1A1KDM4ETLR2
SCHEMBL5560733 0.88 TNFRSF1A (0.57) ERN1TNFRSF1AALDH1A1KDM4ETSHR
SCHEMBL6040725 0.81 ERN1 (0.50) ERN1TNFRSF1AALDH1A1KDM4ETSHR
SCHEMBL6744773 0.81 ERN1 (0.58) ERN1TNFRSF1AALDH1A1KDM4ETSHR
SCHEMBL6040762 0.79 TNFRSF1A (0.61) ERN1TNFRSF1AALDH1A1KDM4ETSHR
SCHEMBL6067795 0.79 ERN1 (0.54) ERN1TNFRSF1AALDH1A1KDM4ETSHR
SCHEMBL6040583 0.78 ERN1 (0.47) ERN1TNFRSF1AALDH1A1KDM4ETSHR
SCHEMBL5559926 0.77 ERN1 (0.49) ERN1TNFRSF1AALDH1A1KDM4ETSHR
SCHEMBL6040803 0.77 TNFRSF1A (0.62) TNFRSF1A
SCHEMBL6040811 0.77 TNFRSF1A (0.62) TNFRSF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060189549-A1 Chalcone derivatives and their use to treat diseases NI LIMING 2006-08-24 US disclosed
US-7094801-B2 Chalcone derivatives and their use to treat diseases ATHEROGENICS, INC. (US) 2006-08-22 US disclosed
EP-1465854-A4 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS INC (US) 2005-06-08 EP disclosed
EP-1465854-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES Atherogenics, Inc. (US) 2004-10-13 EP disclosed
US-20040181075-A1 Process of making chalcone derivatives GENERAL ELECTRIC COMPANY 2004-09-16 US disclosed
WO-2004056727-A2 PROCESS OF MAKING CHALCONE DERIVATIVES ATHEROGENICS, INC. (US) 2004-07-08 WO disclosed
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CRABTREE ACQUISITION CO, LLC 2004-03-11 US disclosed
WO-2003053368-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2003-07-03 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 (3 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-20060189549-A1 Chalcone derivatives and their use to treat diseases CYP46A1, HSD17B7, CYP11B2 ERN1 1752/4885TNFRSF1A 3846/4885ALDH1A1 1770/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 ERN1 2696/4885TNFRSF1A 3023/4885ALDH1A1 828/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 ERN1 1076/4885TNFRSF1A 3877/4885ALDH1A1 792/4885

“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.