SCHEMBL2045376

SCHEMBL2045376

CCCCCC(CC)OC(=O)C(CC)CCCCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.50
CA1 P00915 6/20 0.50
MAPK1 P28482 1/20 0.42
FAAH O00519 1/20 0.39
PRKCA P17252 1/20 0.38
PRKCD Q05655 1/20 0.38
BIRC2 Q13490 3/20 0.37
ZDHHC7 Q9NXF8 1/20 0.37
GRIK1 P39086 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
GRIK2 Q13002 1/20 0.36

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
SCHEMBL5509189 0.94 CA2 (0.42) CA2CA1MAPK1FAAHPRKCA
SCHEMBL2304371 0.92 CA2 (0.55) CA2CA1MAPK1FAAHPRKCA
SCHEMBL2305289 0.92 CA2 (0.55) CA2CA1MAPK1FAAHPRKCA
SCHEMBL473755 0.92 CA2 (0.59) CA2CA1MAPK1FAAHPRKCA
SCHEMBL22471739 0.86 CA2 (0.56) CA2CA1MAPK1FAAHZDHHC7
SCHEMBL18204386 0.86 CA2 (0.47) CA2CA1MAPK1FAAHPRKCA
SCHEMBL28982556 0.86 CA2 (0.47) CA2CA1MAPK1FAAHPRKCA
SCHEMBL1274961 0.85 CA2 (0.59) CA2CA1MAPK1FAAHZDHHC7
SCHEMBL1490741 0.85 CA2 (0.59) CA2CA1MAPK1FAAHZDHHC7
SCHEMBL535672 0.85 CA2 (0.59) CA2CA1MAPK1FAAHZDHHC7

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-4736840-A2 LACTOBACILLUS PLANTARUM FOR SKIN CARE Symrise AG (DE) 2026-05-06 EP disclosed
US-12576018-B2 Active agents for skin and hair care with sensory modifying properties SYMRISE AG (DE) 2026-03-17 US disclosed
US-12350357-B2 Active agents for skin and hair care with physicochemical modifying properties SYMRISE AG (DE) 2025-07-08 US disclosed
US-12274775-B2 Fatty acid esters as anti-Malassezia agents SYMRISE AG (DE) 2025-04-15 US disclosed
EP-4487838-A2 AVENANTHRAMIDE COMPOSITIONS WITH IMPROVED SOLUBILITY COMPRISING 4-HYDROXYPHENONE Symrise AG (DE) 2025-01-08 EP disclosed
EP-4114354-B1 AVENANTHRAMIDE COMPOSITIONS WITH IMPROVED SOLUBILITY COMPRISING 4-HYDROXYPHENONE SYMRISE AG (DE) 2024-12-11 EP disclosed
US-20230131993-A1 COMPOSITION COMPRISING AN AVENANTHRAMIDE OR AN ANALOGUE THEREOF WITH IMPROVED STABILITY SYMRISE AG (DE) 2023-04-27 US disclosed
US-20230129036-A1 AVENANTHRAMIDE COMPOSITIONS WITH IMPROVED SOLUBILITY COMPRISING 4-HYDROXYPHENONE SYMRISE AG (DE) 2023-04-27 US disclosed
US-20230118435-A1 COMPOSITION COMPRISING AN AVENANTHRAMIDE WITH IMPROVED SKIN PENETRATION SYMRISE AG (DE) 2023-04-20 US disclosed
US-20220142885-A1 FATTY ACID ESTERS AS ANTI-MALASSEZIA AGENTS SYMRISE AG (DE) 2022-05-12 US disclosed
US-8647651-B2 Synergistic mixtures of C6- to C12-alkanediols and tropolone (derivatives) SYMRISE AG (DE) 2014-02-11 US disclosed
EP-2589291-A1 Synergistically active ternary anti-microbial mixtures Symrise AG (DE) 2013-05-08 EP disclosed
EP-1959975-B1 BLACKBERRY LEAF EXTRACT AS AN ACTIVE INGREDIENT AGAINST SKIN IRRITATIONS AND INFLAMMATIONS SYMRISE AG (DE) 2013-03-27 EP disclosed
EP-2100593-B1 Ternary mixtures with increased collagen synthesis SYMRISE AG (DE) 2012-10-31 EP disclosed
US-20110152383-A1 COMPOSITIONS COMPRISING BENZYL ALCOHOL DERIVATIVES AND FURTHER ANTIMICROBIAL ACTIVE COMPOUNDS SYMRISE AG (DE) 2011-06-23 US disclosed
EP-2100593-A1 Ternary mixtures with increased collagen synthesis Symrise GmbH & Co. KG (DE) 2009-09-16 EP disclosed
US-20090162305-A1 FORMULATIONS OF LOW OIL CONTENT COMPRISING DIPHENYLMETHANE DERIVATIVES SYMRISE GMBH & CO. KG (DE) 2009-06-25 US disclosed
EP-1816998-B1 FORMULATIONS COMPRISING CERAMIDES AND/OR PSEUDOCERAMIDES AND (ALPHA-)BISABOLOL FOR COMBATING SKIN DAMAGE SYMRISE GMBH & CO KG (DE) 2009-03-18 EP disclosed
US-20070059331-A1 SYNERGISTIC MIXTURES OF C6- TO C12-ALKANEDIOLS AND TROPOLONE (DERIVATIVES) SYMRISE GMBH & CO. KG (DE) 2007-03-15 US disclosed
US-20070054967-A1 SYNERGISTIC MIXTURES OF AROMATIC ALCOHOLS AND DERIVATIVES THEREOF AND TROPOLONE (DERIVATIVES) SYMRISE GMBH & CO. KG (DE) 2007-03-08 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 (8 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-20230129036-A1 AVENANTHRAMIDE COMPOSITIONS WITH IMPROVED SOLUBILITY COMPRISING 4-HYDROXYPHENONE HPD, CYP4A22, PAH CA2 3108/4885CA1 3718/4885MAPK1 2746/4885
US-12576018-B2 Active agents for skin and hair care with sensory modifying properties SCD5, SMURF1, SGMS1 CA2 1568/4885CA1 2588/4885MAPK1 2503/4885
US-20070054967-A1 SYNERGISTIC MIXTURES OF AROMATIC ALCOHOLS AND DERIVATIVES THEREOF AND TROPOLONE (DERIVATIVES) NR1H3, NR1H2, CBR3 CA2 3436/4885CA1 3547/4885MAPK1 1543/4885
US-20070059331-A1 SYNERGISTIC MIXTURES OF C6- TO C12-ALKANEDIOLS AND TROPOLONE (DERIVATIVES) CBR3, CBR1, CYP3A7 CA2 1790/4885CA1 3676/4885MAPK1 2584/4885
US-20090162305-A1 FORMULATIONS OF LOW OIL CONTENT COMPRISING DIPHENYLMETHANE DERIVATIVES TYR, CYP51A1, DDT CA2 3951/4885CA1 4165/4885MAPK1 922/4885
US-20110152383-A1 COMPOSITIONS COMPRISING BENZYL ALCOHOL DERIVATIVES AND FURTHER ANTIMICROBIAL ACTIVE COMPOUNDS UNC93B1, ECI1, IL4I1 CA2 1219/4885CA1 2558/4885MAPK1 3444/4885
US-20230131993-A1 COMPOSITION COMPRISING AN AVENANTHRAMIDE OR AN ANALOGUE THEREOF WITH IMPROVED STABILITY OAT, PIGS, HLA-A CA2 3716/4885CA1 4503/4885MAPK1 4294/4885
US-20230118435-A1 COMPOSITION COMPRISING AN AVENANTHRAMIDE WITH IMPROVED SKIN PENETRATION CUTA, ABCG2, MMP7 CA2 4302/4885CA1 4718/4885MAPK1 3802/4885

“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.