SCHEMBL5940751

SCHEMBL5940751

CCCCCCCCCCCCCCCC(=O)C(C)(C(=O)CCCCCCCCCCCCCCC)C(N)C(C)O.COS(=O)(=O)O

nearest known ligand 0.38

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 15)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 8/20 0.38
▸ CES1 P23141 5/20 0.38
▸ CES2 O00748 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35

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
SCHEMBL12494324 0.89 FAAH (0.47) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28523113 0.87 FAAH (0.41) FAAHCES1CES2MEN1CYP1A2
Palmitamide SCHEMBL28694450 0.78 TP53 (0.47) FAAHMEN1CYP1A2KMT2ATP53
SCHEMBL28363537 0.78 FAAH (0.46) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28380134 0.78 FAAH (0.40) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28363752 0.77 FAAH (0.39) FAAHCES1CES2MEN1CYP1A2
SCHEMBL26638038 0.77 FAAH (0.39) FAAHCES1CES2MEN1CYP1A2
SCHEMBL29005882 0.76 FAAH (0.38) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28608284 0.76 FAAH (0.38) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28336601 0.76 FAAH (0.43) FAAHCES1CES2MEN1CYP1A2

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-20060057096-A1 Cosmetic composition comprising at least one cationic surfactant, at least one aminated silicone, at least one fatty alcohol, and at least one diol L'OREAL S.A. (FR) 2006-03-16 — — 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-20060057096-A1 Cosmetic composition comprising at least one cationic surfactant, at least one aminated silicone, at least one fatty alcohol, and at least one diol SGMS1, SGMS2, CUTA FAAH 84/4885CES1 1567/4885CES2 971/4885

“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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