SCHEMBL6735790

SCHEMBL6735790

COC(=O)c1cc(-c2ccccc2)c(OC)c(-c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.56
TSHR P16473 1/20 0.55
PTGS2 P35354 1/20 0.54
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
PDE4B Q07343 2/20 0.49
PDE4A P27815 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
ACLY P53396 1/20 0.48
HTT P42858 2/20 0.47
BACE1 P56817 3/20 0.47
IKBKB O14920 1/20 0.46
PPARA Q07869 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46

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
SCHEMBL6735457 0.86 PDE4B (0.51) EGFRALDH1A1KDM4EL3MBTL1PDE4B
SCHEMBL5988425 0.84 EGFR (0.62) EGFRTSHRPTGS2ALDH1A1KDM4E
SCHEMBL4115260 0.83 HTT (0.54) EGFRTSHRALDH1A1KDM4EL3MBTL1
SCHEMBL27878777 0.81 TSHR (0.68) EGFRTSHRALDH1A1KDM4EL3MBTL1
SCHEMBL10458005 0.81 PTGS2 (0.76) EGFRTSHRPTGS2L3MBTL1HTT
SCHEMBL35823 0.80 PTGS2 (0.58) EGFRTSHRPTGS2ALDH1A1L3MBTL1
SCHEMBL21182648 0.79 EGFR (0.56) EGFRTSHRALDH1A1KDM4E
SCHEMBL443610 0.79 EGFR (0.52) EGFRTSHRPTGS2ALDH1A1KDM4E
SCHEMBL4257678 0.78 TSHR (0.63) EGFRTSHRPTGS2ALDH1A1KDM4E
SCHEMBL7823750 0.78 TSHR (0.63) EGFRTSHRALDH1A1KDM4EL3MBTL1

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-6683107-B2 THERAPY OF METABOLISM DISORDERS WYETH 2004-01-27 US disclosed
US-20030073709-A1 Furans, benzofurans, and thiophenes useful in the treatment of insulin resistance and hyperglycemia WYETH 2003-04-17 US disclosed
US-6451845-B1 ANTIDIABETIC AGENTS WYETH 2002-09-17 US disclosed
US-20020035272-A1 Furans, benzofurans, and thiophenes useful in the treatment of insulin resistance and hyperglycemia AMERICAN HOME PRODUCTS CORPORATION 2002-03-21 US disclosed
US-6248764-B1 ANTIDIABETIC AGENT; HYPOGLYCEMIC AGENT AMERICAN HOME PRODUCTS CORPORATION 2001-06-19 US disclosed
US-6103708-A USEFUL IN TREATING METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-15 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-20030073709-A1 Furans, benzofurans, and thiophenes useful in the treatment of insulin resistance and hyperglycemia GPR119, INSR, FFAR3 EGFR 536/4885TSHR 13/4885PTGS2 3783/4885
US-20020035272-A1 Furans, benzofurans, and thiophenes useful in the treatment of insulin resistance and hyperglycemia INSR, GPR119, FFAR3 EGFR 644/4885TSHR 13/4885PTGS2 3518/4885

“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.