SCHEMBL10329413

SCHEMBL10329413

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(O)C[N+](C)(C)CCCNC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.49
DNM1 Q05193 2/20 0.47
CASP2 P42575 1/20 0.46
NAAA Q02083 1/20 0.44
PSMD14 O00487 1/20 0.43
PLA2G1B P04054 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MMP2 P08253 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
EPHX2 P34913 3/20 0.43
SLC6A5 Q9Y345 2/20 0.42
KDM4E B2RXH2 1/20 0.40
LPAR1 Q92633 1/20 0.40

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
SCHEMBL10329406 0.95 FAAH (0.54) FAAHDNM1CASP2NAAAPSMD14
Hydrochloric Acid SCHEMBL30274291 0.91 FAAH (0.50) FAAHDNM1CASP2NAAAPSMD14
SCHEMBL13199359 0.90 FAAH (0.49) FAAHDNM1CASP2NAAAPSMD14
SCHEMBL17707881 0.89 FAAH (0.51) FAAHDNM1CASP2NAAAPSMD14
SCHEMBL29817227 0.88 FAAH (0.50) FAAHDNM1CASP2NAAAPSMD14
SCHEMBL20959426 0.88 FAAH (0.50) FAAHDNM1CASP2NAAAPSMD14
Hydrochloric Acid SCHEMBL29528833 0.87 FAAH (0.49) FAAHDNM1CASP2NAAAPSMD14
Hydrochloric Acid SCHEMBL15534882 0.87 FAAH (0.49) FAAHDNM1CASP2NAAAPSMD14
Hydrochloric Acid SCHEMBL15534461 0.87 FAAH (0.49) FAAHDNM1CASP2NAAAPSMD14
SCHEMBL10329420 0.87 FAAH (0.56) FAAHDNM1CASP2NAAAPSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222455-B2 Polycationic viscoelastic compositions STEPAN COMPANY (US) 2012-07-17 US disclosed
US-20110190530-A1 Polycationic Viscoelastic Compositions KNOX PAUL 2011-08-04 US disclosed
US-7947633-B2 Polycationic viscoelastic compositions STEPAN COMPANY (US) 2011-05-24 US disclosed
US-7884057-B2 Quaternary ammonium compounds with two cationic sites connected through a linker; hydraulic fluids, demulsifiers, foamers, organoclays, thickeners, biocides, and oil field fluids. STEPAN COMPANY (US) 2011-02-08 US disclosed
US-7879769-B2 Quaternary ammonium compounds with two cationic sites connected through a linker; hydraulic fluids, demulsifiers, foamers, organoclays, thickeners, biocides, and oil field fluids. STEPAN COMPANY (US) 2011-02-01 US disclosed
US-20100311622-A1 Polycationic Viscoelastic Compositions KNOX PAUL 2010-12-09 US disclosed
US-7772165-B2 Polycationic viscoelastic compositions STEPHAN COMPANY (US) 2010-08-10 US disclosed
US-20080255009-A1 Quaternary ammonium compounds with two cationic sites connected through a linker; hydraulic fluids, demulsifiers, foamers, organoclays, thickeners, biocides, and oil field fluids. STEPAN COMPANY 2008-10-16 US disclosed
US-20080248976-A1 POLYCATIONIC VISCOELASTIC COMPOSITIONS STEPAN COMPANY 2008-10-09 US disclosed
US-20080248977-A1 Quaternary ammonium compounds with two cationic sites connected through a linker; hydraulic fluids, demulsifiers, foamers, organoclays, thickeners, biocides, and oil field fluids. STEPAN COMPANY 2008-10-09 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 (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-20110190530-A1 Polycationic Viscoelastic Compositions AQP1, PBRM1, PARG FAAH 3634/4885DNM1 137/4885CASP2 3230/4885

“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.