SCHEMBL118078

SCHEMBL118078

CCCCCCCCCC(=O)O[C@H]1C(OCCCC)O[C@H](CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
TLR4 O00206 6/20 0.49
LY96 Q9Y6Y9 6/20 0.47
TK2 O00142 2/20 0.47
PRKCA P17252 2/20 0.45

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
SCHEMBL7621799 1.00 MAPK1 (0.56) MAPK1TLR4LY96TK2PRKCA
SCHEMBL9846001 0.91 MAPK1 (0.51) MAPK1TLR4LY96TK2PRKCA
SCHEMBL5424866 0.91 MAPK1 (0.51) MAPK1TLR4LY96TK2PRKCA
SCHEMBL9004349 0.91 MAPK1 (0.51) MAPK1TLR4LY96TK2PRKCA
SCHEMBL8895219 0.88 LGALS8 (0.52) TLR4LY96TK2PRKCA
SCHEMBL9404170 0.88 LGALS8 (0.52) TLR4LY96TK2PRKCA
SCHEMBL9846007 0.88 LGALS8 (0.52) TLR4LY96TK2PRKCA
SCHEMBL731630 0.88 LGALS8 (0.52) TLR4LY96TK2PRKCA
SCHEMBL9114830 0.88 TLR4 (0.54) TLR4LY96TK2PRKCA
SCHEMBL9404169 0.88 LGALS8 (0.52) TLR4LY96TK2PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190099342-A1 COOLING PRODUCT SYMRISE AG (DE) 2019-04-04 US claimed
EP-1765260-B1 SANITIZING COMPOSITION AND METHOD OF PREPARATION BROWN JAMES STEVEN (US) 2017-08-09 EP claimed
US-8795697-B2 Sanitizing composition and method of preparation BROWN JAMES S (US) 2014-08-05 US claimed
EP-1765260-A2 SANITIZING COMPOSITION AND METHOD OF PREPARATION Brown, Steven J. (US) 2007-03-28 EP claimed
WO-2006085907-A2 SANITIZING COMPOSITION AND METHOD OF PREPARATION BROWN STEVEN J (US) 2006-08-17 WO claimed
US-20050271595-A1 Sanitizing composition and method of preparation BROWN JAMES S 2005-12-08 US claimed
US-6488780-B2 USEFUL FOR HAIR AND SKIN CLEANING AND CARE L'OREAL S.A. (FR) 2002-12-03 US claimed
WO-1999035120-A1 NOVEL QUATERNARY AMMONIUM COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF WITCO CORPORATION (US) 1999-07-15 WO claimed
US-20240237643-A1 COMPOSITIONS WITH VIRUCIDAL AND/OR ANTIVIRAL ACTIVITY SYMRISE AG (DE) 2024-07-18 US disclosed
US-20240216248-A1 MICROBIAL GLYCOLIPIDS ANALYTICON DISCOVERY GMBH (DE) 2024-07-04 US disclosed
EP-4387587-A1 COMPOSITIONS Symrise AG (DE) 2024-06-26 EP disclosed
WO-2024110515-A1 AN ACTIVE COMPOSITION COMPRISING RETINOL SYMRISE AG (DE) 2024-05-30 WO disclosed
WO-2024110023-A1 AN ACTIVE COMPOSITION COMPRISING RETINOL SYMRISE AG (DE) 2024-05-30 WO disclosed
US-20240173227-A1 A FRAGRANCE MIXTURE CONTAINING ISOCITRONELLOL SYMRISE AG (DE) 2024-05-30 US disclosed
EP-1045891-A1 NOVEL QUATERNARY AMMONIUM COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF Goldschmidt Chemical Corporation (US) 2000-10-25 EP disclosed
WO-2000026285-A1 GEL COMPOSITIONS PENRECO (US) 2000-05-11 WO disclosed
US-6039936-A WATER IN OIL EMULSIONS L'OREAL (FR) 2000-03-21 US disclosed
WO-1999035223-A1 NOVEL QUATERNARY AMMONIUM COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF WITCO CORPORATION (US) 1999-07-15 WO disclosed
WO-1999035120-A1 NOVEL QUATERNARY AMMONIUM COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF WITCO CORPORATION (US) 1999-07-15 WO disclosed
US-5753241-A Transparent nanoemulsion less than 100 NM based on fluid non-ionic amphiphilic lipids and use in cosmetic or in dermopharmaceuticals L'OREAL (FR) 1998-05-19 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 (4 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-20190099342-A1 COOLING PRODUCT TRPA1, TRPV2, NISCH MAPK1 2608/4885TLR4 3675/4885LY96 3559/4885
US-20240216248-A1 MICROBIAL GLYCOLIPIDS UGCG, SGMS1, GPR119 MAPK1 566/4885TLR4 185/4885LY96 487/4885
US-20240237643-A1 COMPOSITIONS WITH VIRUCIDAL AND/OR ANTIVIRAL ACTIVITY ZC3HAV1, SAMHD1, ZC3HAV1L MAPK1 4456/4885TLR4 3348/4885LY96 877/4885
US-20240173227-A1 A FRAGRANCE MIXTURE CONTAINING ISOCITRONELLOL IPO5, OR51E2, FDFT1 MAPK1 4452/4885TLR4 2413/4885LY96 2858/4885

“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.