SCHEMBL1001785

SCHEMBL1001785

CCCCCCCCCCCCNC(=O)CCC(=O)O

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.74
NAAA Q02083 1/20 0.69
EPHX2 P34913 3/20 0.68
PLA2G2A P14555 1/20 0.61
FAAH O00519 5/20 0.59
KDM4E B2RXH2 1/20 0.58
EPHX1 P07099 2/20 0.57
CNR1 P21554 2/20 0.57
CNR2 P34972 2/20 0.57
PLA2G4A P47712 1/20 0.56
DNM1 Q05193 1/20 0.56
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
SLC22A6 Q4U2R8 1/20 0.56
SLC22A8 Q8TCC7 1/20 0.56
GPR84 Q9NQS5 1/20 0.56
PPARG P37231 1/20 0.56
PPARD Q03181 1/20 0.56
PPARA Q07869 1/20 0.56

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
SCHEMBL94472 1.00 CASP2 (0.74) CASP2NAAAEPHX2PLA2G2AFAAH
SCHEMBL8337296 1.00 CASP2 (0.74) CASP2NAAAEPHX2PLA2G2AFAAH
SCHEMBL10420519 1.00 CASP2 (0.74) CASP2NAAAEPHX2PLA2G2AFAAH
SCHEMBL8356691 1.00 CASP2 (0.74) CASP2NAAAEPHX2PLA2G2AFAAH
SCHEMBL93996 1.00 CASP2 (0.74) CASP2NAAAEPHX2PLA2G2AFAAH
SCHEMBL10422182 1.00 CASP2 (0.74) CASP2NAAAEPHX2PLA2G2AFAAH
SCHEMBL10686810 1.00 CASP2 (0.74) CASP2NAAAEPHX2PLA2G2AFAAH
SCHEMBL10767322 1.00 CASP2 (0.74) CASP2NAAAEPHX2PLA2G2AFAAH
SCHEMBL30678823 0.98 CASP2 (0.71) CASP2NAAAEPHX2PLA2G2AFAAH
SCHEMBL30835571 0.98 CASP2 (0.71) CASP2NAAAEPHX2PLA2G2AFAAH

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
WO-2012093031-A1 METHOD FOR CROSSLINKING MOISTURE CROSSLINKABLE POLYMERS COMPRISING A WATER DONOR SYSTEM WACKER CHEMIE AG (DE) 2012-07-12 WO disclosed
US-7868135-B2 Compositions of lipopeptide antibiotic derivatives and methods of use thereof BIOWEST THERAPEUTICS INC. (CA) 2011-01-11 US disclosed
EP-2147925-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2010-01-27 EP disclosed
EP-1656390-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2006-05-17 EP disclosed
EP-1226113-B1 ESTERS COMPRISING A SECONDARY CARBAMOYL FUNCTION AND THEIR USE AS ODORANT ALCOHOL PRECURSORS FIRMENICH & CIE (CH) 2005-11-09 EP disclosed
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2005-07-14 US disclosed
WO-2005000878-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2005-01-06 WO disclosed
US-6677297-B2 PERFUMES FOR TEXTILES; PROLONGED DIFFUSION FIRMENICH SA (CH) 2004-01-13 US disclosed
US-20020144360-A1 Esters comprising a secondary carbamoyl function and their use as odorant alcohol precursors FIRMENICH SA (CH) 2002-10-10 US disclosed
EP-1226113-A1 ESTERS COMPRISING A SECONDARY CARBAMOYL FUNCTION AND THEIR USE AS ODORANT ALCOHOL PRECURSORS Firmenich S.A. (CH) 2002-07-31 EP disclosed
WO-2001028980-A1 ESTERS COMPRISING A SECONDARY CARBAMOYL FUNCTION AND THEIR USE AS ODORANT ALCOHOL PRECURSORS FIRMENICH S.A. (CH) 2001-04-26 WO disclosed
EP-0382548-B1 Thermoplastic resin composition SUMITOMO CHEMICAL CO (JP) 1994-06-29 EP disclosed
US-5116906-A Molding materials SUMITOMO CHEMICAL CO., LTD. (JP) 1992-05-26 US disclosed
EP-0382548-A2 Thermoplastic resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-08-16 EP disclosed
US-4921942-A Organometallic compounds STEPAN COMPANY (US) 1990-05-01 US disclosed
US-4724174-A AMIDO CARBOXYL SOAPS; FILM-FORMING; SUBSTANTIVITY STEPAN COMPANY (US) 1988-02-09 US disclosed
US-4675422-A ALUMINUM COATINGS STEPAN COMPANY (US) 1987-06-23 US disclosed
EP-0220934-A2 Aluminium carboxylates STEPAN COMPANY (US) 1987-05-06 EP 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-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 CASP2 827/4885NAAA 345/4885EPHX2 3716/4885
US-20020144360-A1 Esters comprising a secondary carbamoyl function and their use as odorant alcohol precursors ADH1C, ADH1A, CBR1 CASP2 722/4885NAAA 2383/4885EPHX2 1283/4885

“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.