SCHEMBL6040671

SCHEMBL6040671

COc1cc(OC)c(-c2cccnc2)cc1C=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.64
MKNK1 Q9BUB5 2/20 0.54
MKNK2 Q9HBH9 2/20 0.54
CYP19A1 P11511 3/20 0.51
CYP11B1 P15538 3/20 0.51
CYP11B2 P19099 3/20 0.51
CYP3A4 P08684 2/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PDE10A Q9Y233 1/20 0.48
CYP17A1 P05093 1/20 0.47
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP1B1 Q16678 1/20 0.46
NPC1 O15118 1/20 0.45
ABCB1 P08183 1/20 0.44
ABCC1 P33527 1/20 0.44
EGFR P00533 1/20 0.44

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
SCHEMBL1578998 0.84 ERN1 (0.65) ERN1MKNK1MKNK2CYP19A1CYP11B1
SCHEMBL28225240 0.83 MKNK1 (0.60) ERN1MKNK1MKNK2CYP19A1CYP11B1
SCHEMBL6040878 0.82 ERN1 (0.56) ERN1KDM4EALDH1A1TSHRTDP1
SCHEMBL6224414 0.82 ALDH1A1 (0.58) ERN1KDM4EALDH1A1TSHRTDP1
SCHEMBL4734973 0.81 ERN1 (0.69) ERN1MKNK1MKNK2CYP19A1CYP11B1
SCHEMBL7677974 0.81 ERN1 (0.69) ERN1MKNK1MKNK2CYP19A1CYP11B1
SCHEMBL6536258 0.81 ERN1 (0.64) ERN1MKNK1MKNK2CYP19A1CYP11B1
SCHEMBL3933850 0.80 ERN1 (0.56) ERN1MKNK1MKNK2CYP19A1CYP11B1
SCHEMBL12766984 0.78 ERN1 (1.00) ERN1
SCHEMBL23326169 0.76 MKNK1 (0.56) ERN1MKNK1MKNK2CYP19A1CYP11B1

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-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
CN-1596240-A Chalcone derivatives and their use for the treatment of diseases ATHEROGENICS INC (US) 2005-03-16 CN 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 ERN1 1752/4885MKNK1 2457/4885MKNK2 2146/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 ERN1 2696/4885MKNK1 2555/4885MKNK2 1486/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 ERN1 1076/4885MKNK1 2786/4885MKNK2 2643/4885

“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.