SCHEMBL30951038

SCHEMBL30951038

CC(C)(C)OC[C@H](N)C(=O)NCCOCCOCCOCC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TLR2 O60603 14/20 0.36
▸ PLK1 P53350 1/20 0.34
▸ CA2 P00918 2/20 0.33
▸ S1PR2 O95136 2/20 0.33
▸ S1PR1 P21453 2/20 0.33
▸ S1PR3 Q99500 2/20 0.33
▸ S1PR5 Q9H228 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
SCHEMBL22398651 0.84 MEN1 (0.47) MEN1KMT2ATLR2PLK1CA2
SCHEMBL22398650 0.84 MEN1 (0.47) MEN1KMT2ATLR2PLK1CA2
SCHEMBL30951032 0.81 MAPK1 (0.30) —
SCHEMBL27252651 0.81 HRH2 (0.30) TLR2
SCHEMBL22687577 0.79 MEN1 (0.43) MEN1KMT2ATLR2PLK1CA2
SCHEMBL25383656 0.76 MEN1 (0.40) MEN1KMT2ATLR2CA2
SCHEMBL12446030 0.76 TDP1 (0.47) MEN1KMT2ACA2
SCHEMBL25874232 0.76 MEN1 (0.38) MEN1KMT2ATLR2PLK1CA2
SCHEMBL25030519 0.75 CA2 (0.42) MEN1KMT2ATLR2CA2
SCHEMBL22398629 0.74 MEN1 (0.41) MEN1KMT2ATLR2PLK1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12016918-B2 Peptide-containing adjuvant compounds having peg spacers UNIVERSITEIT LEIDEN (NL) 2024-06-25 — — 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 (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-12016918-B2 Peptide-containing adjuvant compounds having peg spacers MYD88, CD74, NGLY1 MEN1 1184/4885KMT2A 3733/4885TLR2 28/4885

“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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