SCHEMBL6040664

SCHEMBL6040664

COc1cc(OC)c(-c2c[nH]c(C3CC3)n2)cc1C=CC(=O)c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.45
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTPN1 P18031 5/20 0.42
CA2 P00918 3/20 0.42
CA1 P00915 2/20 0.42
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
DPP4 P27487 5/20 0.41
SNCA P37840 1/20 0.40
TNFRSF1A P19438 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAOB P27338 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
SCHEMBL6040661 1.00 ABCG2 (0.45) ABCG2MAPTMEN1LMNAGAA
SCHEMBL6040608 0.88 ABCG2 (0.49) ABCG2MAPTSMN1; SMN2PTPN1CYP1A1
SCHEMBL6040613 0.88 ABCG2 (0.49) ABCG2MAPTSMN1; SMN2PTPN1CYP1A1
SCHEMBL6040655 0.80 CA1 (0.37) MAPTMEN1GAAKMT2ACA2
SCHEMBL7173442 0.79 TNFRSF1A (0.41) ABCG2MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL6040728 0.75 ALDH1A1 (0.43) MAPTLMNAGAASMN1; SMN2KDM4E
SCHEMBL5565649 0.74 TNFRSF1A (0.50) ABCG2MAPTMEN1LMNAGAA
SCHEMBL5565645 0.74 TNFRSF1A (0.50) ABCG2MAPTMEN1LMNAGAA
SCHEMBL6040705 0.73 ABCG2 (0.51) ABCG2MAPTMEN1LMNAGAA
SCHEMBL6040702 0.73 ABCG2 (0.51) ABCG2MAPTMEN1LMNAGAA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 ABCG2 8/4885MAPT 973/4885MEN1 1759/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 ABCG2 178/4885MAPT 1915/4885MEN1 3107/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 ABCG2 35/4885MAPT 1460/4885MEN1 1050/4885

“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.