SCHEMBL6040532

SCHEMBL6040532

COc1cc(OC(C)(C)C(=O)O)c(C=O)cc1-c1cccs1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 13/20 0.67
ERN1 O75460 4/20 0.48
MAPT P10636 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SLC6A9 P48067 1/20 0.38

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
SCHEMBL6040762 0.95 TNFRSF1A (0.61) TNFRSF1AERN1SLC6A9
SCHEMBL6040611 0.86 TNFRSF1A (0.52) TNFRSF1AERN1MAPTSLC6A9
SCHEMBL5560733 0.84 TNFRSF1A (0.57) TNFRSF1AERN1MAPTRXFP1
SCHEMBL6040610 0.83 TNFRSF1A (0.85) TNFRSF1A
SCHEMBL6040606 0.83 TNFRSF1A (0.85) TNFRSF1A
SCHEMBL6040642 0.82 TNFRSF1A (0.48) TNFRSF1AERN1MAPTSLC6A9
SCHEMBL6040791 0.79 TNFRSF1A (0.79) TNFRSF1A
SCHEMBL6040788 0.79 TNFRSF1A (0.79) TNFRSF1A
SCHEMBL6040531 0.79 TNFRSF1A (0.77) TNFRSF1A
SCHEMBL6040524 0.79 TNFRSF1A (0.77) 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 TNFRSF1A 3846/4885ERN1 1752/4885MAPT 973/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 TNFRSF1A 3023/4885ERN1 2696/4885MAPT 1915/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 TNFRSF1A 3877/4885ERN1 1076/4885MAPT 1460/4885

“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.