SCHEMBL6040792

SCHEMBL6040792

C=C(C(=O)c1ccc(C(=O)O)cc1)c1cc(-c2cccs2)c(OC)cc1OCCC1CCCN1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
CHRM3 P20309 2/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNB3 Q05901 1/20 0.38
ACKR3 P25106 6/20 0.37
DRD1 P21728 1/20 0.37
HRH2 P25021 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37
KCNH2 Q12809 1/20 0.37
MCHR1 Q99705 3/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
NPBWR1 P48145 1/20 0.36
SLC6A9 P48067 1/20 0.35

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
SCHEMBL6040890 0.83 TNFRSF1A (0.39) KDM4ESLC6A9
SCHEMBL6040760 0.83 SLC6A9 (0.40) KDM4ESLC6A9
SCHEMBL6040571 0.83 SLC6A9 (0.40) KDM4ESLC6A9
SCHEMBL6040540 0.83 KDM4E (0.41) HTR2AKCNH2KDM4EPOLB
SCHEMBL6040808 0.82 TNFRSF1A (0.53)
SCHEMBL6040797 0.82 TNFRSF1A (0.53)
SCHEMBL6040794 0.82 KDM4E (0.44) HRH3KDM4E
SCHEMBL4727715 0.81 TNFRSF1A (0.44) KDM4ESLC6A9
SCHEMBL6040740 0.79 SLC6A9 (0.40) KDM4ESLC6A9
SCHEMBL6040653 0.79 TNFRSF1A (0.40) KDM4ESLC6A9

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 17 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-20040181075-A1 Process of making chalcone derivatives GENERAL ELECTRIC COMPANY 2004-09-16 US claimed
WO-2004056727-A2 PROCESS OF MAKING CHALCONE DERIVATIVES ATHEROGENICS, INC. (US) 2004-07-08 WO 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-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 HRH3 1960/4885CHRM3 3552/4885CHRNB1 4501/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 HRH3 2221/4885CHRM3 3664/4885CHRNB1 4477/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 HRH3 2103/4885CHRM3 3480/4885CHRNB1 3898/4885

“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.