SCHEMBL822525

SCHEMBL822525

CCCC(=O)OCCOC(=O)CCN(C)CCOCCN(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.54
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DGKA P23743 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRM3 P20309 1/20 0.39
CHRNA4 P43681 1/20 0.39
KDM4E B2RXH2 2/20 0.37
LTA4H P09960 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ESR1 P03372 1/20 0.36
NAAA Q02083 1/20 0.34

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
SCHEMBL822421 0.98 DNM1 (0.53) DNM1MEN1KMT2ADGKACA12
SCHEMBL822422 0.94 DNM1 (0.55) DNM1MEN1KMT2ADGKACA12
SCHEMBL822710 0.93 DNM1 (0.55) DNM1MEN1KMT2ADGKACA12
SCHEMBL822615 0.92 DNM1 (0.58) DNM1MEN1KMT2ADGKACHRM2
SCHEMBL10030578 0.85 DNM1 (0.56) DNM1MEN1KMT2ADGKACHRM2
SCHEMBL16994180 0.84 DNM1 (0.42) DNM1MEN1KMT2ACA12CA1
SCHEMBL25868606 0.84 DNM1 (0.53) DNM1MEN1KMT2ADGKACA12
SCHEMBL8367998 0.84 DNM1 (0.72) DNM1DGKACA12CA1CA2
SCHEMBL13485577 0.82 MEN1 (0.48) DNM1MEN1KMT2ADGKACA12
SCHEMBL13485570 0.80 DNM1 (0.46) DNM1MEN1KMT2ADGKACA12

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-20110280912-A1 DEGRADABLE POLYMER NANOSTRUCTURE MATERIALS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-11-17 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-20110280912-A1 DEGRADABLE POLYMER NANOSTRUCTURE MATERIALS BCAT1, PCBP1, TRIM4 DNM1 4409/4885MEN1 3841/4885KMT2A 2454/4885

“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.