SCHEMBL6040642

SCHEMBL6040642

CCOC(=O)C(C)(C)Oc1cc(OC)c(C=O)cc1-c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 8/20 0.48
ERN1 O75460 3/20 0.44
FBP1 P09467 4/20 0.41
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KEAP1 Q14145 1/20 0.39
KCNK3 O14649 1/20 0.37
SLC6A9 P48067 1/20 0.37

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
SCHEMBL6040611 0.96 TNFRSF1A (0.52) TNFRSF1AERN1FBP1KDM4ELMNA
SCHEMBL6040762 0.86 TNFRSF1A (0.61) TNFRSF1AERN1KDM4EALDH1A1SLC6A9
SCHEMBL6094343 0.83 ERN1 (0.50) TNFRSF1AERN1FBP1
SCHEMBL6092795 0.82 FBP1 (0.46) TNFRSF1AERN1FBP1KDM4ELMNA
SCHEMBL6040532 0.82 TNFRSF1A (0.67) TNFRSF1AERN1MAPTSLC6A9
SCHEMBL6040725 0.80 ERN1 (0.50) TNFRSF1AERN1KDM4ELMNAHPGD
SCHEMBL5560733 0.80 TNFRSF1A (0.57) TNFRSF1AERN1KDM4ELMNAHPGD
SCHEMBL6091552 0.77 ALDH1A1 (0.41) TNFRSF1AFBP1KDM4ELMNAHPGD
SCHEMBL6092109 0.76 ALDH1A1 (0.41) TNFRSF1AFBP1KDM4ELMNAHPGD
SCHEMBL6091637 0.76 TNFRSF1A (0.41) TNFRSF1AERN1FBP1KDM4ELMNA

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 TNFRSF1A 3846/4885ERN1 1752/4885FBP1 1712/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 TNFRSF1A 3023/4885ERN1 2696/4885FBP1 2155/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 TNFRSF1A 3877/4885ERN1 1076/4885FBP1 744/4885

“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.