SCHEMBL2514741

SCHEMBL2514741

Nc1cccc2c1[CH]c1ccccc1O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
TRPA1 O75762 2/20 0.39
CYP3A4 P08684 4/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
AHR P35869 2/20 0.32
TSHR P16473 3/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
KEAP1 Q14145 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
SCHEMBL367855 0.77 TRPA1 (0.52) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL18585518 0.76 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL1127657 0.75 TRPA1 (0.39) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL1127756 0.75 TRPA1 (0.39) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL1128324 0.75 AHR (0.50) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL1127529 0.75 TRPA1 (0.39) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL1127937 0.75 TRPA1 (0.39) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL4749318 0.74 TRPA1 (0.50) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL1275953 0.72 MAPK1 (0.37) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL3192100 0.71 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034900-B2 Water-soluble thioester and selenoester compounds and methods for making and using the same AMYLIN PHARMACEUTICALS, INC. (US) 2011-10-11 US disclosed
US-7759302-B2 Octapeptides: Arg-X-Asp-Leu-Asp-Ser-Leu-Arg where X is a 2-aminoaulfonylaminoalkanoic acid and optionally having various end groups; biologically active as ligands of blood platelet integrin GPIIbIIIa and the alpha v integrins MERCK PATENT GMBH (DE) 2010-07-20 US disclosed
EP-1631597-A4 DISPLACEABLE LINKER SOLID PHASE CHEMICAL LIGATION GRYPHON THERAPEUTICS INC (US) 2007-07-11 EP disclosed
EP-1616003-A4 WATER-SOLUBLE THIOESTER AND SELENOESTER COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME GRYPHON THERAPEUTICS INC (US) 2007-06-20 EP disclosed
US-20060275768-A1 Multiplex polymer ligation AMYLIN PHARMACEUTICALS, INC. 2006-12-07 US disclosed
EP-1616021-A4 MULTIPLEX POLYMER LIGATION GRYPHON THERAPEUTICS INC (US) 2006-08-30 EP disclosed
US-20060173159-A1 Water-soluble thioester and selenoester compounds and methods for making and using the same ASTRAZENECA PHARMACEUTICALS LP 2006-08-03 US disclosed
US-20060148716-A1 Peptidic sulfonamides MERCK PATENT GMBH (DE) 2006-07-06 US disclosed
EP-1631597-A2 DISPLACEABLE LINKER SOLID PHASE CHEMICAL LIGATION Gryphon Therapeutics, Inc. (US) 2006-03-08 EP disclosed
EP-1616021-A2 MULTIPLEX POLYMER LIGATION Gryphon Therapeutics, Inc. (US) 2006-01-18 EP disclosed
EP-1616003-A1 WATER-SOLUBLE THIOESTER AND SELENOESTER COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME Gryphon Therapeutics, Inc. (US) 2006-01-18 EP disclosed
WO-2004105685-A2 DISPLACEABLE LINKER SOLID PHASE CHEMICAL LIGATION GRYPHON THERAPEUTICS, INC. (US) 2004-12-09 WO disclosed
WO-2004061094-A1 WATER-SOLUBLE THIOESTER AND SELENOESTER COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME GRYPHON THERAPEUTICS, INC. (US) 2004-07-22 WO disclosed
WO-2004060925-A2 MULTIPLEX POLYMER LIGATION GRYPHON THERAPEUTICS, INC. (US) 2004-07-22 WO disclosed
WO-2004060863-A2 BACKBONE ANCHORED THIOESTER AND SELENOESTER GENERATORS GRYPHON THERAPEUTICS, INC. (US) 2004-07-22 WO disclosed
US-20040132966-A1 Backbone anchored thioester and selenoester generators GRYPHON THERAPEUTICS, INC. 2004-07-08 US disclosed
US-20040063902-A1 Side chain anchored thioester and selenoester generators GRYPHON THERAPEUTICS, INC. 2004-04-01 US disclosed
WO-2004011424-A2 SIDE CHAIN ANCHORED THIOESTER AND SELENOESTER GENERATORS GRYPHON THERAPEUTICS, INC. (US) 2004-02-05 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 (3 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-20040132966-A1 Backbone anchored thioester and selenoester generators SCLY, SELENOI, ETF1 ALDH1A1 3705/4885KDM4E 4692/4885MEN1 1794/4885
US-20060148716-A1 Peptidic sulfonamides ITGB3, ITGA2B, ITGA2 ALDH1A1 3369/4885KDM4E 3965/4885MEN1 4668/4885
US-20060173159-A1 Water-soluble thioester and selenoester compounds and methods for making and using the same SCLY, TST, SELENOI ALDH1A1 2859/4885KDM4E 3297/4885MEN1 2151/4885

“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.