SCHEMBL6040719

SCHEMBL6040719

C=C(C(=O)c1ccc(C(=O)NCCN2CCOCC2)cc1)c1cc(-c2cc3ccccc3s2)c(OC)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 4/20 0.63
RXFP1 Q9HBX9 1/20 0.48
CYP2C19 P33261 3/20 0.48
CYP2D6 P10635 3/20 0.48
CYP1A2 P05177 2/20 0.48
ALDH1A1 P00352 4/20 0.47
GAA P10253 2/20 0.47
BCL3 P20749 1/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP2C9 P11712 3/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
ALOX15 P16050 1/20 0.45
HPGDS O60760 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
SCHEMBL6040727 0.83 CD274 (0.62) CD274RXFP1CYP2C19CYP2D6CYP1A2
SCHEMBL6040724 0.83 CD274 (0.62) CD274RXFP1CYP2C19CYP2D6CYP1A2
SCHEMBL6040908 0.81 TNFRSF1A (0.47) CD274
SCHEMBL6040901 0.80 TNFRSF1A (0.50) KDM4E
SCHEMBL6040514 0.79 TNFRSF1A (0.53) KMT2AMEN1TSHR
SCHEMBL4727938 0.78 TNFRSF1A (0.54) ALDH1A1KDM4EHPGDIKBKBCHUK
SCHEMBL6040590 0.77 TNFRSF1A (0.56) IKBKB
SCHEMBL6040919 0.77 TNFRSF1A (0.48) KDM4E
SCHEMBL6040776 0.76 TNFRSF1A (0.50) CYP2C19CYP1A2ALDH1A1GAALMNA
SCHEMBL6040555 0.74 TNFRSF1A (0.50) KMT2AMEN1POLB

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 CD274 4771/4885RXFP1 3993/4885CYP2C19 60/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 CD274 4639/4885RXFP1 2929/4885CYP2C19 68/4885

“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.