SCHEMBL6738294

SCHEMBL6738294

COc1c(C)cc(C=O)cc1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.49
MCL1 Q07820 1/20 0.45
ALDH1A1 P00352 6/20 0.37
TSHR P16473 1/20 0.37
CYP2A6 P11509 1/20 0.36
TPMT P51580 1/20 0.36
TUBB1 Q9H4B7 1/20 0.35
HPGD P15428 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
AOX1 Q06278 1/20 0.34
TRIM24 O15164 1/20 0.34
ALDH5A1 P51649 1/20 0.34
ABAT P80404 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
AKR1B1 P15121 1/20 0.33
FDPS P14324 1/20 0.33
MAPK1 P28482 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL2593503 0.88 MCL1 (0.50) SRCMCL1ALDH1A1TSHRCYP2A6
SCHEMBL470698 0.86 SRC (0.57) SRCALDH1A1TSHRCYP2A6TUBB1
SCHEMBL7139014 0.81 SRC (0.42) SRCMCL1ALDH1A1HPGDTDP1
SCHEMBL2335896 0.81 ALDH1A1 (0.50) MCL1ALDH1A1TSHRTUBB1HPGD
SCHEMBL30426642 0.81 ALDH1A1 (0.50) MCL1ALDH1A1TSHRTUBB1HPGD
SCHEMBL27426702 0.79 TPMT (0.54) MCL1ALDH1A1TPMTTUBB1HPGD
SCHEMBL5045913 0.78 ALDH1A1 (0.52) SRCALDH1A1TSHRTUBB1HPGD
SCHEMBL7170908 0.77 SRC (0.49) SRCALDH1A1TSHRCYP2A6TUBB1
SCHEMBL6291227 0.77 SRC (0.53) SRCALDH1A1TUBB1HPGDTDP1
SCHEMBL12552993 0.77 SRC (0.49) SRCALDH1A1TSHRCYP2A6TPMT

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 SRC 2498/4885MCL1 3680/4885ALDH1A1 2639/4885
US-20020035272-A1 Furans, benzofurans, and thiophenes useful in the treatment of insulin resistance and hyperglycemia INSR, GPR119, FFAR3 SRC 2920/4885MCL1 3688/4885ALDH1A1 2690/4885

“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.