SCHEMBL6040825

SCHEMBL6040825

COc1cc(OCC2CC2)c(C=O)cc1-c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.46
TNFRSF1A P19438 4/20 0.44
PDE4D Q08499 3/20 0.39
PDE4A P27815 2/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDE4B Q07343 3/20 0.36
SLC6A9 P48067 1/20 0.36
RPS6KB2 Q9UBS0 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
PDE4C Q08493 1/20 0.35

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
SCHEMBL5560733 0.84 TNFRSF1A (0.57) ERN1TNFRSF1AKDM4EALDH1A1TSHR
SCHEMBL6040896 0.81 TNFRSF1A (0.58) TNFRSF1APDE4DPDE4APDE4BPDE4C
SCHEMBL6040892 0.81 TNFRSF1A (0.58) TNFRSF1APDE4DPDE4APDE4BPDE4C
SCHEMBL5559926 0.81 ERN1 (0.49) ERN1TNFRSF1AKDM4EALDH1A1TSHR
SCHEMBL6040725 0.80 ERN1 (0.50) ERN1TNFRSF1AKDM4EALDH1A1TSHR
SCHEMBL6040567 0.80 TNFRSF1A (0.49) ERN1TNFRSF1AALDH1A1SLC6A9
SCHEMBL6040821 0.80 ERN1 (0.46) ERN1TNFRSF1AKDM4EALDH1A1TSHR
SCHEMBL6040751 0.80 ERN1 (0.46) ERN1TNFRSF1AKDM4EALDH1A1TSHR
SCHEMBL6040820 0.80 ERN1 (0.46) ERN1TNFRSF1AKDM4EALDH1A1TSHR
SCHEMBL6040645 0.79 CHRNB4 (0.43) ERN1TNFRSF1A

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 6 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-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 1752/4885TNFRSF1A 3846/4885PDE4D 2355/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 ERN1 1076/4885TNFRSF1A 3877/4885PDE4D 2763/4885

“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.