SCHEMBL14439014

SCHEMBL14439014

O=COCC(COC=O)OC(=O)CBr

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TRPA1 O75762 1/20 0.32
LMNA P02545 1/20 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
SCHEMBL7753418 0.76 ALDH1A1 (0.46) ALDH1A1TRPA1LMNA
SCHEMBL15323825 0.72 ALDH1A1 (0.37) ALDH1A1LMNA
SCHEMBL20793424 0.71 TDP1 (0.42) ALDH1A1TRPA1LMNA
SCHEMBL24377667 0.71 PRKCA (0.38)
SCHEMBL15323710 0.71 LMNA (0.46) ALDH1A1LMNA
SCHEMBL10977328 0.71 PRKCA (0.42) ALDH1A1LMNA
SCHEMBL26011222 0.69 CTSK (0.31) ALDH1A1LMNA
SCHEMBL2633186 0.69
SCHEMBL9298460 0.69 TRPA1 (0.48) ALDH1A1TRPA1LMNA
SCHEMBL19300632 0.68 ALDH1A1 (0.36) ALDH1A1LMNA

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-20070190128-A1 Esters of L-carnitine or alkanoyl L-carnitines useful as cationic lipids for the intracellular delivery of pharmacologically active compounds SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-08-16 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-20070190128-A1 Esters of L-carnitine or alkanoyl L-carnitines useful as cationic lipids for the intracellular delivery of pharmacologically active compounds CRAT, SLC25A20, CPT1B ALDH1A1 637/4885TRPA1 1879/4885LMNA 238/4885

“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.