SCHEMBL6040571

SCHEMBL6040571

C=C(C(=O)c1ccc(C(=O)O)cc1)c1cc(-c2cccs2)c(OC)cc1OCCOCCOCCOC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.40
TNFRSF1A P19438 6/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 4/20 0.38
RXFP1 Q9HBX9 1/20 0.38
RARB P10826 2/20 0.37
RARG P13631 2/20 0.36
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34

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
SCHEMBL6040760 1.00 SLC6A9 (0.40) SLC6A9TNFRSF1AKDM4EMEN1ALDH1A1
SCHEMBL6040740 0.96 SLC6A9 (0.40) SLC6A9TNFRSF1AKDM4EMEN1ALDH1A1
SCHEMBL4727715 0.87 TNFRSF1A (0.44) SLC6A9TNFRSF1AKDM4EMEN1ALDH1A1
SCHEMBL6040653 0.85 TNFRSF1A (0.40) SLC6A9TNFRSF1AKDM4EMEN1ALDH1A1
SCHEMBL6040496 0.84 TSHR (0.44) SLC6A9TNFRSF1AKDM4EMEN1ALDH1A1
SCHEMBL6040594 0.84 TNFRSF1A (0.39) SLC6A9TNFRSF1AKDM4EMEN1ALDH1A1
SCHEMBL6040765 0.84 POLB (0.42) SLC6A9TNFRSF1AKDM4EMEN1ALDH1A1
SCHEMBL6040890 0.84 TNFRSF1A (0.39) SLC6A9TNFRSF1AKDM4EMEN1ALDH1A1
SCHEMBL6040792 0.83 HRH3 (0.38) SLC6A9KDM4E
SCHEMBL6040540 0.82 KDM4E (0.41) KDM4EMEN1ALDH1A1KMT2A

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
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
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 SLC6A9 2523/4885TNFRSF1A 3846/4885KDM4E 2298/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 SLC6A9 4698/4885TNFRSF1A 3023/4885KDM4E 3020/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 SLC6A9 2584/4885TNFRSF1A 3877/4885KDM4E 2896/4885

“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.