SCHEMBL6040522

SCHEMBL6040522

COC(=O)c1ccc(C(=O)C=Cc2cc(-c3cc4ccccc4s3)c(OC)cc2OC)cc1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 13/20 0.80
ABCG2 Q9UNQ0 1/20 0.52
DPP4 P27487 1/20 0.45
PTPN1 P18031 1/20 0.45
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL6040517 1.00 TNFRSF1A (0.80) TNFRSF1AABCG2DPP4PTPN1CYP1A1
SCHEMBL5960658 0.92 TNFRSF1A (0.83) TNFRSF1AABCG2MAPTNPC1ALDH1A1
SCHEMBL5960657 0.92 TNFRSF1A (0.83) TNFRSF1AABCG2MAPTNPC1ALDH1A1
SCHEMBL4727940 0.91 TNFRSF1A (0.81) TNFRSF1AABCG2DPP4CYP1A1CYP1B1
SCHEMBL6040869 0.91 TNFRSF1A (0.81) TNFRSF1AABCG2DPP4CYP1A1CYP1B1
SCHEMBL4727944 0.91 TNFRSF1A (0.81) TNFRSF1AABCG2DPP4CYP1A1CYP1B1
SCHEMBL6040781 0.91 TNFRSF1A (0.75) TNFRSF1AABCG2DPP4PTPN1
SCHEMBL6040779 0.91 TNFRSF1A (0.75) TNFRSF1AABCG2DPP4PTPN1
SCHEMBL6040597 0.90 TNFRSF1A (0.83) TNFRSF1AABCG2MAPTNPC1ALDH1A1
SCHEMBL6040592 0.90 TNFRSF1A (0.83) TNFRSF1AABCG2MAPTNPC1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7094801-B2 Chalcone derivatives and their use to treat diseases ATHEROGENICS, INC. (US) 2006-08-22 US disclosed
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CRABTREE ACQUISITION CO, LLC 2004-03-11 US 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 (1 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-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 TNFRSF1A 3877/4885ABCG2 35/4885DPP4 651/4885

“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.