SCHEMBL6040706

SCHEMBL6040706

COc1cc(OC)c(-c2nc3ccccc3[nH]2)cc1C=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 4/20 0.57
SLC2A1 P11166 1/20 0.53
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
GLA P06280 1/20 0.51
RECQL P46063 1/20 0.51
PKM P14618 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TLR9 Q9NR96 1/20 0.46
KDR P35968 3/20 0.46
CHEK1 O14757 1/20 0.46

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
SCHEMBL3932091 0.82 AMY1A (0.57) AMY1ASLC2A1NPC1RAB9ASMN1; SMN2
SCHEMBL6040620 0.81 FGFR1 (0.43) AMY1AALDH1A1KDM4EGAAHPGD
SCHEMBL6040827 0.79 ABCG2 (0.51) AMY1ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6040826 0.79 ABCG2 (0.51) AMY1ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5559572 0.76 KDM4E (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2096956 0.76 AMY1A (0.76) AMY1ASLC2A1NPC1RAB9ASMN1; SMN2
SCHEMBL31027930 0.76 AMY1A (0.76) AMY1ASLC2A1NPC1RAB9ASMN1; SMN2
SCHEMBL30436391 0.76 NPC1 (0.58) AMY1ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL15643913 0.76 SMN1; SMN2 (0.64) AMY1ASLC2A1NPC1RAB9ASMN1; SMN2
SCHEMBL2090887 0.76 AMY1A (0.63) AMY1ASLC2A1NPC1RAB9ASMN1; SMN2

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 8 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 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 AMY1A 939/4885SLC2A1 352/4885NPC1 40/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 AMY1A 802/4885SLC2A1 2529/4885NPC1 1311/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 AMY1A 307/4885SLC2A1 242/4885NPC1 22/4885

“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.