SCHEMBL6040563

SCHEMBL6040563

COc1cc(OC)c(C2C=CCO2)cc1/C=C/C(=O)c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.49
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTPN1 P18031 6/20 0.45
CA2 P00918 3/20 0.45
CA1 P00915 2/20 0.45
DPP4 P27487 5/20 0.44
SNCA P37840 1/20 0.43
CYP1A1 P04798 2/20 0.42
CYP1B1 Q16678 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAOB P27338 1/20 0.41

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
SCHEMBL6040568 1.00 ABCG2 (0.49) ABCG2MAPTMEN1LMNAGAA
SCHEMBL6040556 0.78 CA2 (0.39) MAPTGAACA2CA1KDM4E
SCHEMBL5564576 0.73 PTPN1 (0.58) ABCG2MAPTMEN1LMNAGAA
SCHEMBL5564581 0.73 PTPN1 (0.58) ABCG2MAPTMEN1LMNAGAA
SCHEMBL6040830 0.72 ALDH1A1 (0.49) MAPTMEN1LMNAGAAKMT2A
SCHEMBL6040705 0.69 ABCG2 (0.51) ABCG2MAPTMEN1LMNAGAA
SCHEMBL5565292 0.69 ABCG2 (0.51) ABCG2MAPTMEN1LMNAGAA
SCHEMBL6040702 0.69 ABCG2 (0.51) ABCG2MAPTMEN1LMNAGAA
SCHEMBL5565287 0.69 ABCG2 (0.51) ABCG2MAPTMEN1LMNAGAA
SCHEMBL6040661 0.69 ABCG2 (0.45) 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 9 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
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.