SCHEMBL1832597

SCHEMBL1832597

O=C(OP(=O)(O)OC(=O)C(O)CO)C(O)CO

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.42
PGK1 P00558 1/20 0.37
PGK2 P07205 1/20 0.37
PGD P52209 1/20 0.30

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
SCHEMBL17513026 0.98 OR51E2 (0.40) OR51E2PGK1PGK2
SCHEMBL5579171 0.88 OR51E2 (0.40) OR51E2PGK1PGK2PGD
SCHEMBL29666492 0.87 PGK1 (0.36) OR51E2PGK1PGK2PGD
SCHEMBL121274 0.85 OR51E2 (0.42) OR51E2PGK1PGK2
SCHEMBL6852791 0.81 OR51E2 (0.39) OR51E2PGK1PGK2
SCHEMBL316820 0.81 CA4 (0.41) OR51E2PGK1PGK2
Phosphoric Acid SCHEMBL4267407 0.80 OR51E2 (0.42) OR51E2PGK1PGK2PGD
Lithium Ion SCHEMBL23387433 0.79 CA1 (0.39) OR51E2
SCHEMBL5467168 0.79 CA1 (0.39) OR51E2
SCHEMBL3847418 0.79 CA1 (0.39) OR51E2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4346839-B1 PHARMACEUTICAL COMPOSITIONS FOR CLINICAL NUTRITION BAXTER INT (US) 2025-03-26 EP claimed
CN-115279333-A Composition or oat extract comprising avenanthramide and beta-glucan 西姆莱斯股份公司 2022-11-01 CN disclosed
CN-115243670-A Cosmetic or pharmaceutical use of avenanthramide L 西姆莱斯股份公司 2022-10-25 CN disclosed
CN-115243664-A Compositions comprising avenanthramides for increasing skin permeability 西姆莱斯股份公司 2022-10-25 CN disclosed
CN-115243669-A Avenanthramide compositions with enhanced solubility comprising 4-hydroxybenzophenones 西姆莱斯股份公司 2022-10-25 CN disclosed
CN-115209864-A Compositions comprising avenanthramides or analogs thereof having improved stability 西姆莱斯股份公司 2022-10-18 CN disclosed
CN-107410304-B Compositions comprising benzyl alcohol derivatives and other antimicrobially active compounds 西姆莱斯有限公司 2020-06-12 CN disclosed
US-8278068-B2 Ex vivo human skin model SYMRISE AG (DE) 2012-10-02 US disclosed
EP-1939279-B1 Skin model SYMRISE AG (DE) 2012-07-11 EP disclosed
EP-2019316-B1 Ex vivo human skin model SYMRISE AG (DE) 2011-05-11 EP disclosed
US-20100286102-A1 Formulations comprising ceramides and/or pseudoceramides and (alpha-)bisabolol for combating skin damage SYMRISE GMBH & CO. KG (DE) 2010-11-11 US disclosed
US-20090298113-A1 EX VIVO HUMAN SKIN MODEL SYMRISE GMBH & CO. KG (DE) 2009-12-03 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
EP-2019316-A2 Ex vivo human skin model Symrise GmbH & Co. KG (DE) 2009-01-28 EP disclosed
EP-1939279-A1 Skin model Symrise GmbH & Co. KG (DE) 2008-07-02 EP disclosed
US-20080138850-A1 Skin Model SYMRISE GMBH & CO. KG (DE) 2008-06-12 US disclosed
EP-1927656-A1 Skin model Symrise GmbH & Co. KG (DE) 2008-06-04 EP disclosed
EP-1816998-A1 FORMULATIONS COMPRISING CERAMIDES AND/OR PSEUDOCERAMIDES AND (ALPHA-)BISABOLOL FOR COMBATING SKIN DAMAGE Symrise GmbH & Co. KG (DE) 2007-08-15 EP disclosed
US-20070111920-A1 Method for production of solid granulated with improved storage stability and abrasion resistance HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-05-17 US disclosed
WO-2006053912-A1 FORMULATIONS COMPRISING CERAMIDES AND/OR PSEUDOCERAMIDES AND (ALPHA-)BISABOLOL FOR COMBATING SKIN DAMAGE SYMRISE GMBH & CO. KG (DE) 2006-05-26 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-20100286102-A1 Formulations comprising ceramides and/or pseudoceramides and (alpha-)bisabolol for combating skin damage CERT1, CERS2, SGMS1 OR51E2 3554/4885PGK1 544/4885PGK2 791/4885

“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.