SCHEMBL313800

SCHEMBL313800

CCCCCCCCCCCCCCCC(=O)C(C)(C(=O)CCCCCCCCCCCCCCC)N(C)CCO.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 17)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 11/20 0.38
▸ CES1 P23141 7/20 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
▸ DNM1 Q05193 3/20 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
▸ KDM5A P29375 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ POLA1 P09884 1/20 0.33
▸ NAAA Q02083 1/20 0.33

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
SCHEMBL7219610 1.00 FAAH (0.38) FAAHCES1CES2MEN1CYP1A2
SCHEMBL1990522 0.89 FAAH (0.47) FAAHCES1CES2MEN1CYP1A2
SCHEMBL474408 0.89 FAAH (0.47) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28532297 0.87 FAAH (0.43) FAAHCES1CES2MEN1CYP1A2
SCHEMBL109910 0.80 FAAH (0.51) FAAHCES1MEN1CYP1A2KMT2A
SCHEMBL540430 0.79 FAAH (0.41) FAAHCES1CES2MEN1CYP1A2
SCHEMBL5929269 0.79 FAAH (0.41) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28608284 0.78 FAAH (0.38) FAAHCES1CES2MEN1CYP1A2
SCHEMBL29005882 0.78 FAAH (0.38) FAAHCES1CES2MEN1CYP1A2
SCHEMBL6142283 0.78 FAAH (0.43) FAAHCES1MEN1CYP1A2KMT2A

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12031261-B2 Method and device for dispensing a fragrance composition during a cleaning cycle of a household appliance HENKEL AG & CO. KGAA (DE) 2024-07-09 — — US disclosed
EP-4351774-A1 COMPOSITIONS CONTAINING COLOUR-NEUTRAL DEGRADABLE MICROCAPSULES Henkel AG & Co. KGaA (DE) 2024-04-17 — — EP disclosed
EP-3839124-B1 METHOD AND DEVICE FOR DISPENSING A FRAGRANCE COMPOSITION DURING A CLEANING CYCLE OF A HOUSEHOLD APPLIANCE HENKEL AG & CO KGAA (DE) 2023-11-15 — — EP disclosed
EP-3867346-B1 SOLUBLE LAUNDRY DETERGENT SHEETS WITH ACRYLAMIDE POLYMERS HENKEL AG & CO KGAA (DE) 2023-09-27 — — EP disclosed
EP-3867343-B1 SOLUBLE LAUNDRY DETERGENT SHEETS WITH TEXTILE STIFFENING AGENTS HENKEL AG & CO KGAA (DE) 2023-09-27 — — EP disclosed
EP-3867345-B1 SOLUBLE LAUNDRY DETERGENT SHEETS WITH TEXTILE STIFFENING AGENT AND CELLULASE HENKEL AG & CO KGAA (DE) 2023-09-27 — — EP disclosed
US-20230183620-A1 AGENT CONTAINING EMULSIFIER AND MICROCAPSULES HENKEL AG & CO. KGAA (DE) 2023-06-15 — — US disclosed
WO-2022258808-A1 COMPOSITIONS CONTAINING COLOUR-NEUTRAL DEGRADABLE MICROCAPSULES HENKEL AG & CO. KGAA (DE) 2022-12-15 — — WO disclosed
US-20210238516-A1 Soluble Laundry Detergent Sheets With Acrylamide Polymers HENKEL AG & CO. KGAA (DE) 2021-08-05 — — US disclosed
US-20210238508-A1 Soluble Laundry Detergent Sheets With Textile Stiffening Agents HENKEL AG & CO. KGAA (DE) 2021-08-05 — — US disclosed
EP-1945746-A1 COMPOSITION WITH SURFACE MODIFYING PROPERTIES ECOLAB, INC. (US) 2008-07-23 — — EP disclosed
WO-2007054126-A1 COMPOSITION WITH SURFACE MODIFYING PROPERTIES ECOLAB INC. (US) 2007-05-18 — — WO disclosed
US-20060229230-A1 Agents that are absorbed on the surfaces of substrates HENKEL AG & CO. KGAA (DE) 2006-10-12 — — US disclosed
US-20060134239-A1 Agents against microorganisms containing patchouli oil, patchouli alcohol and/or the derivatives thereof HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-06-22 — — US disclosed
US-20060130702-A1 Inhibition of the asexual reproduction of fungi HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-06-22 — — US disclosed
US-20060128813-A1 Inhibition of the asexual reproduction of fungi by eugenol and/or derivatives thereof HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-06-15 — — US disclosed
US-20060009370-A1 Use of nanoscale particles for improving dirt removal ZUECHNER LARS 2006-01-12 — — US disclosed
US-20050009929-A1 Using terpene compound HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2005-01-13 — — US disclosed
US-20040266634-A1 Adhesion inhibition of moulds HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2004-12-30 — — US disclosed
US-20040023824-A1 Use of nanoscale particles for improving dirt removal HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2004-02-05 — — 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 (3 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-20060134239-A1 Agents against microorganisms containing patchouli oil, patchouli alcohol and/or the derivatives thereof POLR1C, DPM1, PCNA FAAH 1379/4885CES1 4322/4885CES2 3987/4885
US-20050009929-A1 Using terpene compound CUTA, ERG28, LSS FAAH 1839/4885CES1 2464/4885CES2 2029/4885
US-20060128813-A1 Inhibition of the asexual reproduction of fungi by eugenol and/or derivatives thereof ERG28, MEP1A, ETF1 FAAH 2281/4885CES1 2593/4885CES2 400/4885

“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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