SCHEMBL6699378

SCHEMBL6699378

CCCCCCCCCCC(N)=O.CCC[N+](C)(C)C.COS(=O)(=O)[O-]

nearest known ligand 0.44

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.44
▸ SOAT1 P35610 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ENPP2 Q13822 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ CES2 O00748 4/20 0.40
▸ CES1 P23141 4/20 0.40
▸ RECQL P46063 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ DNM1 Q05193 2/20 0.37

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
SCHEMBL8660838 1.00 FAAH (0.44) FAAHSOAT1MEN1TP53CYP1A2
Octadecanoic Acid Amide SCHEMBL8121892 1.00 FAAH (0.44) FAAHSOAT1MEN1TP53CYP1A2
Palmitamide SCHEMBL14718649 0.90 ENPP2 (0.43) FAAHSOAT1MEN1TP53CYP1A2
Octadecanoic Acid Amide SCHEMBL14718933 0.90 ENPP2 (0.43) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL28118922 0.89 SOAT1 (0.45) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL14734919 0.87 BBOX1 (0.41) MEN1CYP2C19KMT2AENPP2KDM4E
Octadecanoic Acid Amide SCHEMBL1407699 0.86 FAAH (0.45) FAAHSOAT1MEN1TP53CYP1A2
Sulfuric Acid SCHEMBL28483829 0.85 SOAT1 (0.50) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL27595241 0.85 SOAT1 (0.57) FAAHSOAT1MEN1TP53CYP1A2
Octadecanoic Acid Amide SCHEMBL27994152 0.85 SOAT1 (0.57) FAAHSOAT1MEN1TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014894-A1 Epoxidized trialkylammonium salt, synthesis method and uses INSTITUT TEXTILE ET CHIMQUE DE LYON (ITECH LYON) (FR) 2004-01-22 — — 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-20040014894-A1 Epoxidized trialkylammonium salt, synthesis method and uses CBR3, GRHPR, BCKDK FAAH 1092/4885SOAT1 238/4885MEN1 4263/4885

“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.

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