SCHEMBL4077674

SCHEMBL4077674

CN(C)CC(COC(=O)CCCCCCCCCCC(=O)OCc1ccccc1)OC(=O)CCCCCCCCCCC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TLR2 O60603 3/20 0.46
PRKCA P17252 1/20 0.45
PRKCE Q02156 1/20 0.45
PRKCQ Q04759 1/20 0.45
PRKCD Q05655 1/20 0.45
LPAR1 Q92633 3/20 0.43
CYP2D6 P10635 3/20 0.43
HTR2A P28223 3/20 0.43
MGLL Q99685 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
SCHEMBL4078613 0.91 ALDH1A1 (0.44) ALDH1A1LMNATLR2PRKCAPRKCE
SCHEMBL13901272 0.90 TLR2 (0.42) ALDH1A1LMNATLR2PRKCAPRKCE
SCHEMBL4255720 0.87 ALDH1A1 (0.54) ALDH1A1LMNATLR2PRKCAPRKCE
SCHEMBL19300948 0.84 ALDH1A1 (0.68) ALDH1A1LMNATLR2PRKCAPRKCE
SCHEMBL4301352 0.84 LPAR1 (0.60) ALDH1A1LMNATLR2PRKCAPRKCE
SCHEMBL20793332 0.84 ALDH1A1 (0.54) ALDH1A1LMNATLR2PRKCAPRKCE
SCHEMBL4078739 0.83 MAPK1 (0.48) ALDH1A1LMNATLR2PRKCAPRKCE
SCHEMBL31752535 0.82 HTT (0.51) ALDH1A1LMNATLR2PRKCAPRKCE
SCHEMBL10081340 0.82 LTA4H (0.44) ALDH1A1LMNATLR2LPAR1MGLL
SCHEMBL13702235 0.81 CYP2D6 (0.42) ALDH1A1TLR2CYP2D6HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221684-A1 Molecules for Gene Delivery and Gene Therapy, and Methods of Use Thereof TRUSTEES OF BOSTON UNIVERSITY (US) 2009-09-03 US disclosed
US-7507859-B2 Functional synthetic molecules and macromolecules for gene delivery FIFTH BASE LLC (US) 2009-03-24 US disclosed
US-20060241071-A1 Functional synthetic molecules and macromolecules for gene delivery FIFTH BASE LLC 2006-10-26 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 (2 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
US-20090221684-A1 Molecules for Gene Delivery and Gene Therapy, and Methods of Use Thereof ANXA6, STING1, ADM2 ALDH1A1 2863/4885LMNA 967/4885TLR2 2059/4885

“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.