SCHEMBL540430

SCHEMBL540430

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

nearest known ligand 0.41

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 11/20 0.41
▸ CES1 P23141 10/20 0.41
▸ CES2 O00748 5/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CA12 O43570 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ GPR84 Q9NQS5 2/20 0.34
▸ PPARG P37231 2/20 0.34
▸ PPARD Q03181 2/20 0.34
▸ PPARA Q07869 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SLC22A6 Q4U2R8 1/20 0.34
▸ SLC22A8 Q8TCC7 1/20 0.34

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
SCHEMBL5929269 1.00 FAAH (0.41) FAAHCES1CES2MEN1CYP1A2
SCHEMBL5846740 0.89 FAAH (0.44) FAAHCES1CES2MEN1CYP1A2
SCHEMBL455070 0.87 FAAH (0.52) FAAHCES1CES2MEN1CYP1A2
SCHEMBL457602 0.87 FAAH (0.52) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28532297 0.85 FAAH (0.43) FAAHCES1CES2MEN1CYP1A2
SCHEMBL313800 0.79 FAAH (0.38) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28608284 0.79 FAAH (0.38) FAAHCES1CES2MEN1CYP1A2
SCHEMBL7219610 0.79 FAAH (0.38) FAAHCES1CES2MEN1CYP1A2
SCHEMBL29005882 0.79 FAAH (0.38) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28363537 0.78 FAAH (0.46) 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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2413879-B1 CAPILLARY COMPOSITION FOR TREATING HAIR L'ORÉAL (FR) 2017-08-16 — — EP claimed
EP-2413879-A1 CAPILLARY COMPOSITION FOR TREATING HAIR L'Oréal (FR) 2012-02-08 — — EP claimed
WO-2010112682-A1 CAPILLARY COMPOSITION FOR TREATING HAIR L'OREAL (FR) 2010-10-07 — — WO claimed
US-20230414482-A1 COMPOSITIONS FOR KERATIN FIBERS L'OREAL (FR) 2023-12-28 — — US disclosed
EP-4255584-A1 COMPOSITIONS FOR KERATIN FIBERS L'OREAL (FR) 2023-10-11 — — EP disclosed
WO-2022118981-A1 COMPOSITIONS FOR KERATIN FIBERS L'OREAL (FR) 2022-06-09 — — WO disclosed
WO-2022118983-A1 COMPOSITIONS FOR KERATIN FIBERS L'OREAL (FR) 2022-06-09 — — WO disclosed
WO-2022118979-A1 COMPOSITIONS FOR KERATIN FIBERS L'OREAL (FR) 2022-06-09 — — WO disclosed
WO-2022118982-A1 PROCESS FOR TREATING KERATIN FIBERS L'OREAL (FR) 2022-06-09 — — WO disclosed
EP-2236053-B2 Method for the steam treatment of hair OREAL (FR) 2021-03-03 — — EP disclosed
US-20210032387-A1 EMULSION POLYMERS CROSSLINKED WITH COMPOUNDS CONTAINING TWO OR MORE DICARBONYL-SUBSTITUTED 1 ALKENE UNITS SIRRUS, INC. 2021-02-04 — — US disclosed
US-8153257-B2 Capped particles comprising multi-block copolymers for use in lubricants PRODUCTIVE RESEARCH LLC (US) 2012-04-10 — — US disclosed
EP-2413879-A1 CAPILLARY COMPOSITION FOR TREATING HAIR L'Oréal (FR) 2012-02-08 — — EP disclosed
EP-2413880-A1 CAPILLARY COMPOSITION FOR TREATING HAIR L'Oréal (FR) 2012-02-08 — — EP disclosed
US-20110166051-A1 CAPPED PARTICLES FOR USE IN LUBRICANTS Productive Research LLC. (US) 2011-07-07 — — US disclosed
WO-2010112683-A1 CAPILLARY COMPOSITION FOR TREATING HAIR L'OREAL (FR) 2010-10-07 — — WO disclosed
WO-2010112682-A1 CAPILLARY COMPOSITION FOR TREATING HAIR L'OREAL (FR) 2010-10-07 — — WO disclosed
EP-2236053-A1 Method for the steam treatment of hair L'Oréal (FR) 2010-10-06 — — EP disclosed
EP-0904052-B1 CLEANING, CONDITIONING AND STYLING HAIR CARE COMPOSITIONS STEPAN CO (US) 2002-12-11 — — EP disclosed
WO-1997038673-A9 CLEANING, CONDITIONING AND STYLING HAIR CARE COMPOSITIONS — 1998-12-30 — — WO 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-20230414482-A1 COMPOSITIONS FOR KERATIN FIBERS KRT18, HACD3, HACD2 FAAH 829/4885CES1 3841/4885CES2 3583/4885

“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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