SCHEMBL6040833

SCHEMBL6040833

COc1cc(OC)c(-c2cccn2C(=O)OC(C)(C)C)cc1/C=C/C(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.49
TNFRSF1A P19438 5/20 0.45
CYP1A1 P04798 2/20 0.45
CYP1B1 Q16678 2/20 0.45
PTPN1 P18031 3/20 0.43
DPP4 P27487 1/20 0.43
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CXCL12 P48061 1/20 0.41
CAPN1 P07384 1/20 0.41
SNCA P37840 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
BCHE P06276 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
SCHEMBL6040836 1.00 ABCG2 (0.49) ABCG2TNFRSF1ACYP1A1CYP1B1PTPN1
SCHEMBL6819986 0.88 ABCG2 (0.55) ABCG2TNFRSF1ACYP1A1CYP1B1PTPN1
SCHEMBL6040628 0.82 TNFRSF1A (0.48) ABCG2TNFRSF1ACYP1A1CYP1B1NPC1
SCHEMBL6040631 0.82 TNFRSF1A (0.48) ABCG2TNFRSF1ACYP1A1CYP1B1NPC1
SCHEMBL6040619 0.82 HSP90AA1 (0.44) NPC1MAPTRAB9AALDH1A1TDP1
SCHEMBL19953372 0.79 HSP90AA1 (0.51) BCHE
SCHEMBL6222672 0.75 ABCG2 (0.46) ABCG2TNFRSF1ACYP1A1CYP1B1PTPN1
SCHEMBL14770871 0.74 HSP90AA1 (0.49) ALDH1A1BCHE
SCHEMBL6040704 0.74 ABCG2 (0.52) ABCG2TNFRSF1ACYP1A1CYP1B1DPP4
SCHEMBL6040701 0.74 ABCG2 (0.52) ABCG2TNFRSF1ACYP1A1CYP1B1DPP4

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 11 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
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-20040181075-A1 Process of making chalcone derivatives GENERAL ELECTRIC COMPANY 2004-09-16 US 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
US-20040181075-A1 Process of making chalcone derivatives GENERAL ELECTRIC COMPANY 2004-09-16 US disclosed
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CRABTREE ACQUISITION CO, LLC 2004-03-11 US 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 ABCG2 8/4885TNFRSF1A 3846/4885CYP1A1 350/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 ABCG2 178/4885TNFRSF1A 3023/4885CYP1A1 79/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 ABCG2 35/4885TNFRSF1A 3877/4885CYP1A1 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.