SCHEMBL4076808

SCHEMBL4076808

CC(=O)OCC(C[N+](C)(C)C)OC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
LMNA P02545 2/20 0.59
CYP1A2 P05177 1/20 0.59
HRH1 P35367 1/20 0.59
CHRM1 P11229 4/20 0.53
CHRM2 P08172 3/20 0.53
CHRM4 P08173 3/20 0.53
TBXA2R P21731 2/20 0.53
TSHR P16473 2/20 0.53
GALR3 O60755 2/20 0.52
MAPT P10636 1/20 0.52
BLM P54132 1/20 0.52
TDP1 Q9NUW8 1/20 0.46
CHRM5 P08912 3/20 0.42
CHRM3 P20309 3/20 0.42
PGR P06401 1/20 0.42
HTR1A P08908 1/20 0.42
CHRNB2 P17787 1/20 0.42

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
SCHEMBL14611305 1.00 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2ALMNACYP1A2
Hydrochloric Acid SCHEMBL10720917 0.98 SMN1; SMN2 (0.62) SMN1; SMN2MEN1KMT2ALMNACYP1A2
SCHEMBL22188617 0.84 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2ALMNACYP1A2
SCHEMBL20680945 0.84 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2ALMNACYP1A2
SCHEMBL14236467 0.83 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2ALMNACYP1A2
SCHEMBL14236225 0.83 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2ALMNACYP1A2
Triacetin SCHEMBL3870 0.83 TDP1 (0.56) SMN1; SMN2MEN1KMT2ALMNACYP1A2
Triacetin SCHEMBL821340 0.83 TDP1 (0.56) SMN1; SMN2MEN1KMT2ALMNACYP1A2
SCHEMBL30925322 0.81 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2ALMNACYP1A2
SCHEMBL10868982 0.81 TDP1 (0.43) SMN1; SMN2MEN1KMT2ALMNACYP1A2

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 9 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
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
EP-0187298-B1 ORGANIC QUATERNARY AMMONIUM COMPOUNDS AND PROCESS FOR THEIR PREPARATION INTEROX Société Anonyme (BE) 1990-05-23 EP disclosed
EP-0187298-A2 Organic quaternary ammonium compounds and process for their preparation INTEROX Société Anonyme (BE) 1986-07-16 EP disclosed
EP-0186052-A1 Process for activating hydrogen peroxide in washing and disinfecting baths INTEROX Société Anonyme (BE) 1986-07-02 EP 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 SMN1; SMN2 3525/4885MEN1 3002/4885KMT2A 1652/4885

“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.