SCHEMBL6520442

SCHEMBL6520442

CCCCCCCCCCCC(=O)NCCC#N

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.61
SELP P16109 1/20 0.58
DNM1 Q05193 2/20 0.57
EPHX2 P34913 3/20 0.56
CASP2 P42575 1/20 0.56
NAAA Q02083 1/20 0.53
HSP90AA1 P07900 1/20 0.50
CNR1 P21554 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
CNR2 P34972 1/20 0.49

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
SCHEMBL31206313 0.90 EPHX2 (0.66) FAAHSELPDNM1EPHX2CASP2
SCHEMBL20263717 0.89 MAPT (0.56) FAAHSELPDNM1EPHX2CASP2
SCHEMBL19176854 0.85 MCL1 (0.53) FAAHSELPEPHX2CASP2NAAA
SCHEMBL20263728 0.85 MAPT (0.56) FAAHSELPDNM1EPHX2CASP2
SCHEMBL1117284 0.84 FAAH (0.62) FAAHSELPDNM1EPHX2CASP2
SCHEMBL1880781 0.83 FAAH (0.64) FAAHSELPDNM1EPHX2CASP2
SCHEMBL31206518 0.83 CASP2 (0.62) FAAHSELPDNM1EPHX2CASP2
SCHEMBL25350370 0.82 FAAH (0.77) FAAHSELPDNM1EPHX2CASP2
SCHEMBL11170358 0.82 FAAH (0.77) FAAHSELPDNM1EPHX2CASP2
SCHEMBL846255 0.82 FAAH (0.77) FAAHSELPDNM1EPHX2CASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283143-B1 PROCESS FOR PRODUCING SPHINGOLIPIDS BY N-ACYLATION OF LYSOSPHINGOLIPIDS EMPLOYING A FUNGAL LIPASE EVONIK DEGUSSA GMBH (DE) 2017-12-27 EP disclosed
EP-2283144-B1 PROCESS FOR PRODUCING SPHINGOLIPIDS BY N-ACYLATION OF LYSOSPHINGOLIPIDS EMPLOYING A LIPASE AND A FATTY ACID GLYCEROL ESTER EVONIK DEGUSSA GMBH (DE) 2017-11-08 EP disclosed
CN-102057049-B Method for producing sphingolipids by enzymatic N-acylation of lysosphingolipids using fungal lipases and fatty acid alkyl esters EVONIK GOLDSCHMIDT GMBH (DE) 2014-10-01 CN disclosed
CN-102057050-B Method for producing sphingolipids by enzymatic N-acylation of lysosphingolipids using a lipase and a fatty acid glycerol ester EVONIK GOLDSCHMIDT GMBH 2014-06-11 CN disclosed
US-20110065801-A1 ENZYMATIC SYNTHESIS OF SPHINGOLIPIDS EVONIK GOLDSCHMIDT GMBH (DE) 2011-03-17 US disclosed
EP-0649836-B1 N-(long-chain acyl)amino nitrile and process for the preparation thereof KAO CORP (JP) 1998-02-25 EP disclosed
US-5646317-A AMIDATION, HYDROLYSIS KAO CORPORATION (JP) 1997-07-08 US disclosed
EP-0649836-A1 Processes for the preparation of N-(long-chain acyl)amino acid and salt thereof, and intermediate amidonitrile and process for the preparation thereof Kao Corporation (JP) 1995-04-26 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 (1 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-20110065801-A1 ENZYMATIC SYNTHESIS OF SPHINGOLIPIDS ASAH1, SMPD1, ASAH2 FAAH 145/4885SELP 3912/4885DNM1 1225/4885

“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.