SCHEMBL105489

SCHEMBL105489

CCC(=O)OCCOC(=O)CBr

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
TRPA1 O75762 2/20 0.61
CYP2C19 P33261 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
NAAA Q02083 1/20 0.52
FAAH O00519 2/20 0.42
DGKA P23743 1/20 0.41
GAA P10253 2/20 0.40
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
BLM P54132 1/20 0.38
WRN Q14191 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
SOAT1 P35610 1/20 0.35
ADRA2A P08913 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
SCHEMBL1434603 0.87 CYP2C19 (0.64) ALDH1A1TRPA1CYP2C19L3MBTL1NAAA
SCHEMBL50301 0.87 NAAA (0.64) ALDH1A1TRPA1CYP2C19NAAADGKA
Water SCHEMBL28123302 0.84 NAAA (0.61) ALDH1A1TRPA1CYP2C19NAAADGKA
SCHEMBL140522 0.82
SCHEMBL287504 0.82
SCHEMBL10398269 0.82
Ethylene SCHEMBL6759867 0.81 NAAA (0.58) ALDH1A1TRPA1CYP2C19NAAADGKA
Ethylene SCHEMBL9937082 0.81 NAAA (0.58) ALDH1A1TRPA1CYP2C19NAAADGKA
SCHEMBL5676032 0.81 ALDH1A1 (0.62) ALDH1A1TRPA1CYP2C19L3MBTL1NAAA
SCHEMBL11212563 0.80 CYP2C19 (0.58) ALDH1A1TRPA1CYP2C19L3MBTL1FAAH

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-20120059173-A1 DENDRITIC MOLECULES THE UNIVERSITY OF QUEENSLAND (AU) 2012-03-08 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-20120059173-A1 DENDRITIC MOLECULES CD40LG, CD40, TLR3 ALDH1A1 3696/4885TRPA1 3193/4885CYP2C19 4746/4885

“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.