SCHEMBL4728448

SCHEMBL4728448

COc1cc(OC)c(-c2cc3ccccc3s2)cc1/C=C/C(=O)c1ccccc1C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 12/20 0.75
ERN1 O75460 1/20 0.43
MAOB P27338 2/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
AR P10275 1/20 0.41
APP P05067 1/20 0.41

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
SCHEMBL4728450 1.00 TNFRSF1A (0.75) TNFRSF1AERN1MAOBABCG2AR
SCHEMBL5960658 0.89 TNFRSF1A (0.83) TNFRSF1AABCG2
SCHEMBL5960657 0.89 TNFRSF1A (0.83) TNFRSF1AABCG2
SCHEMBL4727944 0.88 TNFRSF1A (0.81) TNFRSF1AABCG2
SCHEMBL6040869 0.88 TNFRSF1A (0.81) TNFRSF1AABCG2
SCHEMBL4727940 0.88 TNFRSF1A (0.81) TNFRSF1AABCG2
SCHEMBL5574930 0.86 TNFRSF1A (1.00) TNFRSF1A
SCHEMBL5574927 0.86 TNFRSF1A (1.00) TNFRSF1A
SCHEMBL5574888 0.84 TNFRSF1A (1.00) TNFRSF1A
SCHEMBL5571802 0.84 TNFRSF1A (1.00) TNFRSF1AABCG2

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 15 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 claimed
US-7094801-B2 Chalcone derivatives and their use to treat diseases ATHEROGENICS, INC. (US) 2006-08-22 US claimed
JP-2005516941-A 2005-06-09 JP claimed
EP-1465854-A4 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS INC (US) 2005-06-08 EP claimed
EP-1465854-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES Atherogenics, Inc. (US) 2004-10-13 EP claimed
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CRABTREE ACQUISITION CO, LLC 2004-03-11 US claimed
WO-2003053368-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2003-07-03 WO claimed
WO-2008021210-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-02-21 WO disclosed
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
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-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 1752/4885MAOB 2619/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 TNFRSF1A 3877/4885ERN1 1076/4885MAOB 2537/4885
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN TNFRSF1A 4828/4885ERN1 2737/4885MAOB 123/4885

“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.