SCHEMBL6736591

SCHEMBL6736591

CCc1cc(Br)cc(CC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
PTGS2 P35354 1/20 0.41
CA2 P00918 4/20 0.38
CA4 P22748 4/20 0.38
GAA P10253 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
CA1 P00915 3/20 0.36
CA6 P23280 3/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
DHFR P00374 1/20 0.36
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL8429787 0.89 HSD17B10 (0.52) HSD17B10PTGS2CA2CA4CA1
SCHEMBL14154475 0.87 PTGS2 (0.50) PTGS2CA2CA4GAATAAR1
SCHEMBL3993269 0.86 ALDH1A1 (0.40) HSD17B10PTGS2GAANCOA1NCOA3
SCHEMBL14211626 0.81 HSD17B10 (0.38) HSD17B10CA2CA4GAACA1
SCHEMBL12325395 0.80 PTGS2 (0.44) PTGS2CA2TAAR1CA1DHFR
SCHEMBL10600312 0.79 MAPT (0.50) HSD17B10CA2CA4GAACA1
SCHEMBL2945602 0.78 ALDH1A1 (0.48) HSD17B10PTGS2TAAR1MAPT
SCHEMBL12885657 0.78 ACHE (0.48) HSD17B10PTGS2TAAR1DHFRMAPT
SCHEMBL21547605 0.78 PTGS2 (0.60) PTGS2GAATAAR1DHFRMAPT
SCHEMBL12101787 0.77 GABRA1 (0.40) GABRA1GABRB2MAPT

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 10 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
CN-1308625-A Naphtho [2, 3-B ] heteroar-4-yl derivatives AMERICAN HOME PROD (US) 2001-08-15 CN disclosed
US-6248764-B1 ANTIDIABETIC AGENT; HYPOGLYCEMIC AGENT AMERICAN HOME PRODUCTS CORPORATION 2001-06-19 US disclosed
EP-1077968-A1 NAPHTHO[2,3-B]HETEROAR-4-YL DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-28 EP disclosed
US-6121271-A ANTIDIABETIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-09-19 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
WO-1999058522-A1 NAPHTHO[2,3-B]HETEROAR-4-YL DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-18 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-20030073709-A1 Furans, benzofurans, and thiophenes useful in the treatment of insulin resistance and hyperglycemia GPR119, INSR, FFAR3 HSD17B10 400/4885PTGS2 3783/4885CA2 1382/4885
US-20020035272-A1 Furans, benzofurans, and thiophenes useful in the treatment of insulin resistance and hyperglycemia INSR, GPR119, FFAR3 HSD17B10 375/4885PTGS2 3518/4885CA2 1385/4885

“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.