SCHEMBL4078613

SCHEMBL4078613

CN(C)CC(COC(=O)CCCCCCCCCCCOCc1ccccc1)OC(=O)CCCCCCCCCCCOCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TLR2 O60603 3/20 0.43
PRKCA P17252 1/20 0.41
PRKCE Q02156 1/20 0.41
PRKCQ Q04759 1/20 0.41
PRKCD Q05655 1/20 0.41
EPHX2 P34913 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2D6 P10635 3/20 0.41
HTR2A P28223 3/20 0.41
LPAR1 Q92633 3/20 0.40

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
SCHEMBL13901272 0.99 TLR2 (0.42) ALDH1A1LMNATLR2PRKCAPRKCE
SCHEMBL4077674 0.91 ALDH1A1 (0.48) ALDH1A1LMNATLR2PRKCAPRKCE
SCHEMBL4081060 0.84 MAPK1 (0.44) ALDH1A1LMNATLR2PRKCAPRKCE
SCHEMBL13901190 0.81 CYP1A2 (0.42) ALDH1A1LMNATLR2PRKCAPRKCE
SCHEMBL25873835 0.81 TLR2 (0.41) ALDH1A1LMNATLR2L3MBTL1
SCHEMBL25874010 0.81 TLR2 (0.41) ALDH1A1LMNATLR2L3MBTL1
SCHEMBL25474578 0.80 ALDH1A1 (0.68) ALDH1A1LMNATLR2PRKCAPRKCE
SCHEMBL1117789 0.80 ALDH1A1 (0.68) ALDH1A1LMNATLR2PRKCAPRKCE
SCHEMBL23668333 0.80 ALDH1A1 (0.68) ALDH1A1LMNATLR2PRKCAPRKCE
SCHEMBL20714687 0.80 ALDH1A1 (0.68) ALDH1A1LMNATLR2PRKCAPRKCE

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507859-B2 Functional synthetic molecules and macromolecules for gene delivery FIFTH BASE LLC (US) 2009-03-24 US disclosed
EP-1644479-A4 FUNCTIONAL SYNTHETIC MOLECULES AND MACROMOLECULES FOR GENE DELIVERY GRINSTAFF MARK W (US) 2008-04-23 EP disclosed
US-20060241071-A1 Functional synthetic molecules and macromolecules for gene delivery FIFTH BASE LLC 2006-10-26 US disclosed
EP-1644479-A2 FUNCTIONAL SYNTHETIC MOLECULES AND MACROMOLECULES FOR GENE DELIVERY Grinstaff, Mark, W. (US) 2006-04-12 EP disclosed
WO-2005007810-A2 FUNCTIONAL SYNTHETIC MOLECULES AND MACROMOLECULES FOR GENE DELIVERY GRINSTAFF MARK W (US) 2005-01-27 WO 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-20060241071-A1 Functional synthetic molecules and macromolecules for gene delivery ANXA6, STING1, POLRMT ALDH1A1 3722/4885LMNA 953/4885TLR2 2383/4885

“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.