SCHEMBL6040669

SCHEMBL6040669

COc1cc(-c2cccs2)cc(OC)c1C=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.68
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 3/20 0.53
MAPK1 P28482 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
KMT2A Q03164 1/20 0.53
TNFRSF1A P19438 8/20 0.48
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
RPS6KB2 Q9UBS0 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL12766763 0.81 ERN1 (1.00) ERN1
SCHEMBL28147834 0.80 SMN1; SMN2 (0.66) ERN1ALDH1A1HSD17B10MAPK1SMN1; SMN2
SCHEMBL6040616 0.79 ERN1 (0.60) ERN1ALDH1A1MAPK1SMN1; SMN2MEN1
SCHEMBL5960661 0.78 ERN1 (0.68) ERN1TNFRSF1A
SCHEMBL2387712 0.78 ERN1 (0.56) ERN1ALDH1A1HSD17B10MAPK1SMN1; SMN2
SCHEMBL9754595 0.77 ERN1 (0.67) ERN1ALDH1A1HSD17B10MAPK1SMN1; SMN2
SCHEMBL27864586 0.76 ALDH1A1 (0.66) ERN1ALDH1A1HSD17B10MAPK1SMN1; SMN2
SCHEMBL6224788 0.75 ERN1 (0.53) ERN1ALDH1A1HSD17B10MAPK1SMN1; SMN2
SCHEMBL21774187 0.75 ERN1 (0.65) ERN1MAPTKDM4E
SCHEMBL6040786 0.74 TNFRSF1A (0.62) ERN1TNFRSF1A

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 10 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
US-20060063828-A1 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof ATHEROGENICS, INC. 2006-03-23 US disclosed
WO-2006004903-A2 1,2-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND PHARMACEUTICAL COMPOSITIONS THEREOF ATHEROGENICS, INC. (US) 2006-01-12 WO 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 (4 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 1752/4885ALDH1A1 1770/4885HSD17B10 36/4885
US-20060063828-A1 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof ABCB11, CEL, CYP46A1 ERN1 2367/4885ALDH1A1 159/4885HSD17B10 189/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 ERN1 2696/4885ALDH1A1 828/4885HSD17B10 9/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 ERN1 1076/4885ALDH1A1 792/4885HSD17B10 39/4885

“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.