SCHEMBL6040540

SCHEMBL6040540

C=C(C(=O)c1ccc(C(=O)O)cc1)c1cc(-c2cccs2)c(OC)cc1OCCN1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 3/20 0.40
TSHR P16473 3/20 0.40
USP2 O75604 1/20 0.40
GLA P06280 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
SYK P43405 1/20 0.39
ABCB1 P08183 1/20 0.39
PTPN1 P18031 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPK10 P53779 1/20 0.39
MAPK14 Q16539 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
SCHEMBL6040794 0.96 KDM4E (0.44) KDM4ETDP1ALDH1A1LMNATSHR
SCHEMBL6040861 0.93 CHUK (0.41) KDM4ETDP1ALDH1A1SMN1; SMN2LMNA
SCHEMBL6040596 0.90 CA2 (0.46) KDM4ETDP1ALDH1A1SMN1; SMN2LMNA
SCHEMBL6040873 0.89 KDM4E (0.44) KDM4ETDP1ALDH1A1LMNATSHR
SCHEMBL6044864 0.87 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2LMNAUSP2
SCHEMBL6045177 0.86 HRH3 (0.47) KDM4ETDP1ALDH1A1SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL5566518 0.83 FLT3 (0.40) TSHRKMT2AMEN1GAAPOLB
SCHEMBL6040792 0.83 HRH3 (0.38) KDM4EPOLBHTR2AKCNH2
SCHEMBL4727715 0.82 TNFRSF1A (0.44) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL6040760 0.82 SLC6A9 (0.40) KDM4EALDH1A1KMT2AMEN1

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 KDM4E 2298/4885TDP1 4210/4885ALDH1A1 1770/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 KDM4E 3020/4885TDP1 4340/4885ALDH1A1 828/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 KDM4E 2896/4885TDP1 3473/4885ALDH1A1 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.