SCHEMBL19542209

SCHEMBL19542209

CCOCCOCCNC(=O)C(CCCCN)NC(=O)CCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 6/20 0.56
▸ KMT2A Q03164 2/20 0.44
▸ CPB1 P15086 1/20 0.41
▸ CPB2 Q96IY4 1/20 0.41
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ SIRT1 Q96EB6 1/20 0.41
▸ SIRT3 Q9NTG7 1/20 0.41
▸ CHRNA1 P02708 1/20 0.39
▸ CHRNG P07510 1/20 0.39
▸ CHRNB1 P11230 1/20 0.39
▸ CHRND Q07001 1/20 0.39
▸ TPSAB1 Q15661 1/20 0.39

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
SCHEMBL19541911 1.00 TLR2 (0.56) TLR2KMT2ACPB1CPB2CHRNB2
SCHEMBL22514287 0.94 TLR2 (0.54) TLR2KMT2ACPB1CPB2SIRT2
SCHEMBL19542141 0.90 TLR2 (0.62) TLR2KMT2ASIRT2SIRT1SIRT3
SCHEMBL30895594 0.89 TLR2 (0.50) TLR2KMT2ACPB1CPB2
SCHEMBL26447022 0.88 TLR2 (0.53) TLR2KMT2ACPB1CPB2
SCHEMBL16329533 0.88 TLR2 (0.53) TLR2KMT2ACPB1CPB2
SCHEMBL16329552 0.86 TLR2 (0.54) TLR2KMT2ACPB1CPB2
SCHEMBL19542037 0.86 TLR2 (0.49) TLR2KMT2ACPB1CPB2
SCHEMBL23447232 0.85 KMT2A (0.45) TLR2KMT2ATPSAB1
SCHEMBL30771427 0.85 TLR2 (0.63) TLR2KMT2ASIRT2SIRT1SIRT3

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-20170313656-A1 Branched Discrete PEG Constructs QUANTA BIODESIGN, LTD. 2017-11-02 — — 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-20170313656-A1 Branched Discrete PEG Constructs BTD, IDUA, DNPEP TLR2 983/4885KMT2A 3152/4885CPB1 622/4885

“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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