SCHEMBL6040649

SCHEMBL6040649

COc1cc(OC)c(-c2c(C)noc2C)cc1C=O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.59
NR3C1 P04150 1/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
BRD4 O60885 11/20 0.46
BRD2 P25440 6/20 0.46
BRD3 Q15059 5/20 0.46
LMNA P02545 1/20 0.41
HPGD P15428 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
SCHEMBL18359658 0.91 ERN1 (0.55) ERN1NR3C1BRD4BRD2BRD3
SCHEMBL18359657 0.83 KDM4E (0.57) ERN1NR3C1ALDH1A1KDM4EBRD4
SCHEMBL8326046 0.79 ERN1 (0.72) ERN1BRD4BRD2BRD3
SCHEMBL14712715 0.79 BRD4 (0.52) ERN1NR3C1BRD4BRD2BRD3
SCHEMBL27336188 0.78 ALDH1A1 (0.62) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL6040622 0.76 ABCG2 (0.55) ALDH1A1TDP1
SCHEMBL6040618 0.76 ABCG2 (0.55) ALDH1A1TDP1
SCHEMBL18949744 0.75 NR3C1 (0.47) ERN1NR3C1BRD4BRD2BRD3
SCHEMBL8870304 0.74 ALDH1A1 (0.49) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL12767020 0.74 ERN1 (1.00) ERN1

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 7 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-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 (2 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 1752/4885NR3C1 161/4885ALDH1A1 1770/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 ERN1 1076/4885NR3C1 99/4885ALDH1A1 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.