SCHEMBL13616503

SCHEMBL13616503

CCNCCC(=O)OCC(CC)(COC(=O)CCNCC)COC(=O)CNCC

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.33
THRB P10828 1/20 0.31
LTA4H P09960 2/20 0.31

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
SCHEMBL13616501 0.86 GAA (0.33) ALDH1A1MAPTHPGDKMT2AGAA
SCHEMBL13616523 0.81 DGKA (0.39) ALDH1A1GAALTA4H
SCHEMBL13616524 0.81 DGKA (0.39) ALDH1A1GAALTA4H
SCHEMBL17779433 0.79 LTA4H (0.39) ALDH1A1LTA4H
SCHEMBL16232292 0.79 CYP1A2 (0.42) ALDH1A1MAPTKMT2AGAATHRB
SCHEMBL11048000 0.78 ADRB2 (0.33) GAATHRB
SCHEMBL13151291 0.76 MGAM (0.40) ALDH1A1KMT2AGAALTA4H
SCHEMBL13616504 0.76 ALDH1A1 (0.35) ALDH1A1
SCHEMBL13616507 0.74
SCHEMBL813980 0.73 ALDH1A1 (0.48) ALDH1A1MAPTKMT2ATHRB

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-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 ALDH1A1 4256/4885MAPT 658/4885HPGD 3545/4885

“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.