SCHEMBL6040720

SCHEMBL6040720

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 10/20 0.66
STK17B O94768 4/20 0.39
STK17A Q9UEE5 2/20 0.39
CAMKK1 Q8N5S9 1/20 0.39
AURKB Q96GD4 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
HIPK4 Q8NE63 1/20 0.39
AVPR1A P37288 1/20 0.38
ACLY P53396 2/20 0.37
RPA1 P27694 1/20 0.37
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 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
SCHEMBL4727938 0.87 TNFRSF1A (0.54) TNFRSF1AAVPR1AACLYTUBB4ATUBB
SCHEMBL6040514 0.84 TNFRSF1A (0.53) TNFRSF1AAVPR1AACLYTUBB4ATUBB
SCHEMBL6040590 0.84 TNFRSF1A (0.56) TNFRSF1AAVPR1AACLYTUBB4ATUBB
SCHEMBL6040776 0.83 TNFRSF1A (0.50) TNFRSF1AAVPR1AACLY
SCHEMBL6040901 0.81 TNFRSF1A (0.50) TNFRSF1AAVPR1AACLYTUBB4ATUBB
SCHEMBL6040555 0.81 TNFRSF1A (0.50) TNFRSF1AAVPR1AACLY
SCHEMBL4728444 0.80 TNFRSF1A (0.50) TNFRSF1AAVPR1AACLYTUBB4ATUBB
SCHEMBL6040726 0.80 TNFRSF1A (1.00) TNFRSF1A
SCHEMBL6040723 0.80 TNFRSF1A (1.00) TNFRSF1A
SCHEMBL6040908 0.79 TNFRSF1A (0.47) TNFRSF1AAVPR1AACLY

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 3 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
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 (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 TNFRSF1A 3846/4885STK17B 1371/4885STK17A 786/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 TNFRSF1A 3877/4885STK17B 1655/4885STK17A 948/4885

“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.