SCHEMBL6040883

SCHEMBL6040883

COc1ccc(/C=C/C(=O)c2ccc(C(=O)O)cc2)c(-c2cccs2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 8/20 0.61
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HPGD P15428 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
CASP1 P29466 1/20 0.53
BRCA1 P38398 1/20 0.53
RECQL P46063 1/20 0.53
CASP7 P55210 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
XDH P47989 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.51

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
SCHEMBL6040888 1.00 TNFRSF1A (0.61) TNFRSF1AMAPTALDH1A1NPC1RAB9A
SCHEMBL6040907 0.83 ABCG2 (0.60) TNFRSF1AXDHABCG2
SCHEMBL6040912 0.83 ABCG2 (0.60) TNFRSF1AXDHABCG2
SCHEMBL4727721 0.82 TNFRSF1A (0.68) TNFRSF1AABCG2
SCHEMBL4727718 0.82 TNFRSF1A (0.68) TNFRSF1AABCG2
SCHEMBL6040811 0.81 TNFRSF1A (0.62) TNFRSF1AABCG2CYP1A1CYP1B1
SCHEMBL6040803 0.81 TNFRSF1A (0.62) TNFRSF1AABCG2CYP1A1CYP1B1
SCHEMBL6110611 0.81 TNFRSF1A (0.67) TNFRSF1AMAPTALDH1A1HPGDKDM4E
SCHEMBL6040715 0.81 TNFRSF1A (0.61) TNFRSF1A
SCHEMBL6040711 0.81 TNFRSF1A (0.61) 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 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 3846/4885MAPT 973/4885ALDH1A1 1770/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 TNFRSF1A 3877/4885MAPT 1460/4885ALDH1A1 792/4885

“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.