SCHEMBL6040925

SCHEMBL6040925

C=C(C(=O)c1ccc(C(=O)O)cc1)c1cc(-c2csc(C)n2)c(OC)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
ECE1 P42892 3/20 0.46
CSNK2A1 P68400 1/20 0.45
KDM4A O75164 1/20 0.43
KDM4B O94953 1/20 0.43
KDM5C P41229 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
HPGDS O60760 1/20 0.43
NPC1 O15118 5/20 0.42
RECQL P46063 1/20 0.40
GFER P55789 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL6040615 0.79 TNFRSF1A (0.40) RAB9AHTTCSNK2A1PDE4BPDE4D
SCHEMBL6040865 0.77 KDM4C (0.41) GAAKMT2APDE4BPDE4DSMN1; SMN2
SCHEMBL6040686 0.77 ECE1 (0.44) RAB9APOLBHTTECE1NPC1
SCHEMBL4727715 0.77 TNFRSF1A (0.44) KDM4EMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6040928 0.76 ABCG2 (0.54) RAB9AGAAKDM4EPOLBHTT
SCHEMBL6040930 0.76 ABCG2 (0.54) RAB9AGAAKDM4EPOLBHTT
SCHEMBL6040652 0.76 AR (0.43) RAB9AHTTALDH1A1LMNARXRA
SCHEMBL6040609 0.75 HTT (0.45) GAAPOLBHTTL3MBTL1
SCHEMBL6040602 0.75 RXRA (0.36) CSNK2A1PDE4BPDE4DALDH1A1SUV39H2
SCHEMBL6040676 0.74 ROCK2 (0.48)

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 16 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
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 RAB9A 1137/4885GAA 274/4885KDM4E 2298/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 RAB9A 3448/4885GAA 588/4885KDM4E 3020/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 RAB9A 998/4885GAA 233/4885KDM4E 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.