SCHEMBL2896967

SCHEMBL2896967

CCCCCCCCCCCCCCC(CC(C)O)C(=O)NCC(O)CNC(=O)C(CCCCCCCCCCCCCC)CC(C)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MMP3 P08254 3/20 0.44
MMP9 P14780 3/20 0.44
MMP1 P03956 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
GPR84 Q9NQS5 5/20 0.41
CA2 P00918 1/20 0.41
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
FAAH O00519 1/20 0.40
FFAR1 O14842 1/20 0.40
BIRC2 Q13490 1/20 0.40

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
SCHEMBL2954534 0.83 CA2 (0.46) GPR84CA2FFAR1BIRC2
SCHEMBL2952253 0.83 CA2 (0.46) GPR84CA2FFAR1BIRC2
SCHEMBL22304191 0.83 CA2 (0.46) GPR84CA2FFAR1BIRC2
SCHEMBL5063316 0.83 GPR84 (0.42) MMP3MMP9MMP1GPR84CA2
SCHEMBL8101019 0.83 GPR84 (0.42) MMP3MMP9MMP1GPR84CA2
SCHEMBL2374648 0.83 GPR84 (0.42) MMP3MMP9MMP1GPR84CA2
Hydrochloric Acid SCHEMBL8139506 0.79 MMP3 (0.45) MAPTMMP3MMP9MMP1GPR84
SCHEMBL23430580 0.78 EPHX1 (0.56) GPR84CA2GRIK1GRIK2BIRC2
SCHEMBL29205059 0.78 CA2 (0.41) GPR84CA2FFAR1BIRC2
SCHEMBL29205057 0.78 CA2 (0.41) GPR84CA2FFAR1BIRC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 MAPT 967/4885SMN1; SMN2 2809/4885MMP3 1307/4885

“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.