SCHEMBL4081060

SCHEMBL4081060

C[N+](C)(C)CC(COC(=O)CCCCCCCCCCCOCc1ccccc1)OC(=O)CCCCCCCCCCCOCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.44
LMNA P02545 4/20 0.44
GMNN O75496 3/20 0.44
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
CYP1A2 P05177 3/20 0.44
MEN1 O00255 2/20 0.44
HSP90AA1 P07900 2/20 0.44
BLM P54132 2/20 0.44
KMT2A Q03164 2/20 0.44
NR1H4 Q96RI1 2/20 0.44
TP53 P04637 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
HIF1A Q16665 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
PMP22 Q01453 1/20 0.44
TLR2 O60603 3/20 0.43
FABP3 P05413 1/20 0.43

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
SCHEMBL13901190 0.97 CYP1A2 (0.42) MAPK1LMNAGMNNMAPTNPSR1
SCHEMBL13901362 0.95 CYP1A2 (0.51) MAPK1LMNAGMNNMAPTNPSR1
SCHEMBL4078739 0.91 MAPK1 (0.48) MAPK1LMNAGMNNMAPTNPSR1
SCHEMBL13901188 0.87 CYP1A2 (0.44) MAPK1LMNAGMNNMAPTNPSR1
SCHEMBL4078613 0.84 ALDH1A1 (0.44) LMNAALDH1A1TLR2PRKCAPRKCE
SCHEMBL13901272 0.83 TLR2 (0.42) LMNAALDH1A1TLR2PRKCAPRKCE
SCHEMBL25474533 0.80 ALDH1A1 (0.68) LMNAALDH1A1TLR2PRKCAPRKCE
SCHEMBL1117789 0.80 ALDH1A1 (0.68) LMNAALDH1A1TLR2PRKCAPRKCE
SCHEMBL9206562 0.80 ALDH1A1 (0.68) LMNAALDH1A1TLR2PRKCAPRKCE
SCHEMBL23668333 0.80 ALDH1A1 (0.68) LMNAALDH1A1TLR2PRKCAPRKCE

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 MAPK1 4474/4885LMNA 953/4885GMNN 287/4885

“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.