SCHEMBL2511686

SCHEMBL2511686

NC1c2ccccc2Oc2ccc(OCCCCC(=O)O)cc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACSL1 P33121 2/20 0.49
ACSL6 Q9UKU0 2/20 0.49
PPARA Q07869 3/20 0.47
KCNA3 P22001 1/20 0.46
PDK2 Q15119 2/20 0.42
TSHR P16473 1/20 0.42
PLA2G4B P0C869 1/20 0.41
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
FFAR1 O14842 2/20 0.40
ALDH2 P05091 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALB P02768 1/20 0.40
SERPINE1 P05121 1/20 0.40
FFAR4 Q5NUL3 2/20 0.39

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
SCHEMBL4894070 0.96 ACSL1 (0.45) ACSL1ACSL6PPARAKCNA3PDK2
SCHEMBL9423929 0.87 ACSL1 (0.50) ACSL1ACSL6PPARAKCNA3PDK2
SCHEMBL23091409 0.73 KCNA3 (0.42) PPARAKCNA3PPARGPPARDFFAR1
SCHEMBL23091410 0.73 KCNA3 (0.42) PPARAKCNA3PPARGPPARDFFAR1
SCHEMBL15237264 0.72 GAA (0.56)
SCHEMBL9423885 0.71 MAOA (0.51) TSHRPPARGPPARDFFAR1MAOA
SCHEMBL10722424 0.70 HDAC1 (0.68) ACSL1ACSL6PPARAPDK2FFAR1
SCHEMBL2277251 0.69 MAOB (0.50) MAOAMAOB
SCHEMBL6566874 0.69 L3MBTL1 (0.50)
SCHEMBL1162023 0.69 PPARA (0.74) PPARAKCNA3FFAR1SERPINE1FFAR4

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 17 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
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
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
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-2004060863-A2 BACKBONE ANCHORED THIOESTER AND SELENOESTER GENERATORS GRYPHON THERAPEUTICS, INC. (US) 2004-07-22 WO disclosed
WO-2004060925-A2 MULTIPLEX POLYMER LIGATION 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
US-6566494-B1 Solid support for use in the generation of preferential peptides REGENTS OF THE UNIVERSITY OF MINNESOTA 2003-05-20 US disclosed
US-5917015-A Support material for solid phase organic synthesis REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1999-06-29 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-20040132966-A1 Backbone anchored thioester and selenoester generators SCLY, SELENOI, ETF1 ACSL1 512/4885ACSL6 148/4885PPARA 3749/4885
US-20060173159-A1 Water-soluble thioester and selenoester compounds and methods for making and using the same SCLY, TST, SELENOI ACSL1 403/4885ACSL6 139/4885PPARA 1669/4885

“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.