SCHEMBL4613709

SCHEMBL4613709

CC(C)=COc1c(Br)cc(Br)cc1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
PTGDR2 Q9Y5Y4 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
SCHEMBL7140056 0.76 PTGDR2 (0.38) HSD17B10ALOX15ALOX12PTGDR2
SCHEMBL1530698 0.74 HSD17B10 (0.47) HSD17B10ALOX15ALOX12PTGDR2
SCHEMBL7597523 0.74 ALDH1A1 (0.48) HSD17B10ALOX15ALOX12
SCHEMBL27481998 0.73 PTGDR2 (0.51) ALOX15PTGDR2
SCHEMBL15709517 0.71 PTGDR2 (0.39) HSD17B10ALOX15ALOX12PTGDR2
SCHEMBL7620486 0.70 HSD17B10 (0.37) HSD17B10ALOX15ALOX12PTGDR2
SCHEMBL7140065 0.70 PTGDR2 (0.33) HSD17B10ALOX15ALOX12PTGDR2
SCHEMBL28939024 0.69 PTGDR2 (0.37) ALOX15ALOX12PTGDR2
SCHEMBL7761353 0.68 PTGDR2 (0.41) PTGDR2
SCHEMBL7597533 0.68 THRB (0.35) HSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773939-B1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS UNIV VANDERBILT (US) 2008-02-06 EP disclosed
EP-0779886-B1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS UNIV VANDERBILT (US) 2001-12-05 EP disclosed
US-5684002-A FOR TREATING ARTHRITIS THE PROCTER & GAMBLE COMPANY (US) 1997-11-04 US disclosed
US-5674891-A ANALGESICS WITH SIDE EFFECT REDUCTION THE PROCTER & GAMBLE COMPANY (US) 1997-10-07 US disclosed
US-5656661-A ANALGESICS THE PROCTER & GAMBLE COMPANY (US) 1997-08-12 US disclosed
EP-0779886-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1997-06-25 EP disclosed
EP-0773939-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1997-05-21 EP disclosed
WO-1996007651-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1996-03-14 WO disclosed
WO-1996003396-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1996-02-08 WO disclosed