SCHEMBL6040776

SCHEMBL6040776

C=C(C(=O)c1ccc(C(=O)OCC)cc1)c1cc(-c2cc3ccccc3s2)c(OC)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 10/20 0.50
FOS P01100 1/20 0.42
JUN P05412 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.40
GAA P10253 3/20 0.40
KDM4E B2RXH2 2/20 0.40
AVPR1A P37288 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B2 P37059 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL6040514 0.90 TNFRSF1A (0.53) TNFRSF1AMAPTAVPR1AACLY
SCHEMBL4727938 0.87 TNFRSF1A (0.54) TNFRSF1AALDH1A1HPGDKDM4EAVPR1A
SCHEMBL6040590 0.86 TNFRSF1A (0.56) TNFRSF1AAVPR1AACLY
SCHEMBL6040555 0.83 TNFRSF1A (0.50) TNFRSF1AAVPR1AACLY
SCHEMBL6040901 0.83 TNFRSF1A (0.50) TNFRSF1AKDM4EAVPR1AHTTL3MBTL1
SCHEMBL6040720 0.83 TNFRSF1A (0.66) TNFRSF1AAVPR1AACLY
SCHEMBL6093603 0.82 TNFRSF1A (0.53) TNFRSF1AMAPTAVPR1AACLY
SCHEMBL6040908 0.81 TNFRSF1A (0.47) TNFRSF1AAVPR1AACLY
SCHEMBL6040919 0.81 TNFRSF1A (0.48) TNFRSF1AKDM4EAVPR1AHTTL3MBTL1
SCHEMBL4728444 0.80 TNFRSF1A (0.50) TNFRSF1AALDH1A1HPGDKDM4EAVPR1A

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 13 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
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 (2 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 3846/4885FOS 2809/4885JUN 1315/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 TNFRSF1A 3877/4885FOS 2973/4885JUN 1799/4885

“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.