SCHEMBL6040751

SCHEMBL6040751

COCCOCCOc1cc(OC)c(-c2cccs2)cc1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.46
TNFRSF1A P19438 4/20 0.44
SLC6A9 P48067 2/20 0.40
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
FDPS P14324 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RPS6KB2 Q9UBS0 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 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
SCHEMBL6040821 1.00 ERN1 (0.46) ERN1TNFRSF1ASLC6A9ALDH1A1MAPT
SCHEMBL6040820 1.00 ERN1 (0.46) ERN1TNFRSF1ASLC6A9ALDH1A1MAPT
SCHEMBL6040722 0.95 ERN1 (0.46) ERN1TNFRSF1ASLC6A9ALDH1A1MAPT
SCHEMBL5559926 0.85 ERN1 (0.49) ERN1TNFRSF1ASLC6A9ALDH1A1MAPT
SCHEMBL5560733 0.84 TNFRSF1A (0.57) ERN1TNFRSF1AALDH1A1MAPTHPGD
SCHEMBL19953474 0.81 SLC6A9 (0.41) ERN1SLC6A9HPGDKDM4ERPS6KB2
SCHEMBL6040763 0.81 TNFRSF1A (0.58) TNFRSF1A
SCHEMBL6040769 0.81 TNFRSF1A (0.58) TNFRSF1A
SCHEMBL6040575 0.81 TNFRSF1A (0.58) TNFRSF1A
SCHEMBL6040577 0.81 TNFRSF1A (0.58) TNFRSF1A

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 ERN1 1752/4885TNFRSF1A 3846/4885SLC6A9 2523/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 ERN1 2696/4885TNFRSF1A 3023/4885SLC6A9 4698/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 ERN1 1076/4885TNFRSF1A 3877/4885SLC6A9 2584/4885

“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.