SCHEMBL13624484

SCHEMBL13624484

CCC(COC(=O)CCCCCBr)(COC(=O)CCCCCBr)COC(=O)CCCCCBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.46
PAM P19021 2/20 0.42
TSHR P16473 2/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
DNM1 Q05193 1/20 0.39
KDM4E B2RXH2 1/20 0.38
DUSP3 P51452 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
ENPP2 Q13822 2/20 0.36
LPAR6 P43657 1/20 0.36
LPAR1 Q92633 1/20 0.36
LPAR4 Q99677 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
LPAR2 Q9HBW0 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36

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
SCHEMBL13624156 1.00 DGKA (0.46) DGKAPAMTSHRMAPTLMNA
SCHEMBL13616512 0.95 DGKA (0.55) DGKAPAMTSHRMAPTLMNA
SCHEMBL13616516 0.95 DGKA (0.55) DGKAPAMTSHRMAPTLMNA
SCHEMBL13624234 0.92 DGKA (0.39) DGKAPAMTSHRMAPTLMNA
SCHEMBL13616515 0.87 DGKA (0.44) DGKAPAMTSHRMAPTLMNA
SCHEMBL526334 0.87 DGKA (0.62) DGKAPAMTSHRMAPTLMNA
SCHEMBL17812601 0.87 DGKA (0.62) DGKAPAMTSHRMAPTLMNA
SCHEMBL1627955 0.87 DGKA (0.62) DGKAPAMTSHRMAPTLMNA
SCHEMBL3412329 0.87 DGKA (0.62) DGKAPAMTSHRMAPTLMNA
SCHEMBL15024334 0.87 DGKA (0.62) DGKAPAMTSHRMAPTLMNA

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
WO-2009138341-A2 POLYOL DERIVED ANTI-MICROBIAL AGENTS AND COMPOSITIONS BASF SE (DE) 2009-11-19 WO disclosed
US-20090286878-A1 POLYOL DERIVED ANTI-MICROBIAL AGENTS AND COMPOSITIONS CIBA CORP. 2009-11-19 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-20090286878-A1 POLYOL DERIVED ANTI-MICROBIAL AGENTS AND COMPOSITIONS CUTA, PHOSPHO1, DPM1 DGKA 467/4885PAM 918/4885TSHR 4515/4885

“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.