SCHEMBL8739604

SCHEMBL8739604

CCCCOC(=O)CCN(CCCCCO)CCC(=O)OCCCCOC(=O)CCNCCCN1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.39
THRB P10828 5/20 0.39
THRA P10827 3/20 0.39
PAOX Q6QHF9 1/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ADRA2C P18825 1/20 0.36
DRD4 P21917 1/20 0.36
SLC6A2 P23975 1/20 0.36
HRH2 P25021 1/20 0.36
HTR2A P28223 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL8739614 0.95 PAOX (0.37) ACHEPAOXKCNH2HRH3
SCHEMBL10099917 0.94 PAOX (0.36) ACHETHRBTHRAPAOXALDH1A1
SCHEMBL8739109 0.93 THRA (0.40) ACHETHRBTHRAPAOXTLR7
SCHEMBL26872388 0.89 ACHE (0.36) ACHETHRBTHRAPAOXHRH3
SCHEMBL8738807 0.89 PAOX (0.38) ACHETHRBTHRAPAOX
SCHEMBL25820446 0.89 PAOX (0.38) ACHETHRBTHRAPAOX
SCHEMBL19829897 0.88 PAOX (0.37) ACHETHRBTHRAPAOX
SCHEMBL8739618 0.87 PAOX (0.38) ACHETHRBTHRAPAOXHRH3
SCHEMBL25820457 0.85 PAOX (0.39) ACHETHRBTHRAPAOXALDH1A1
SCHEMBL10099918 0.85 PAOX (0.35) ACHETHRBTHRAPAOXTLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8992991-B2 Multicomponent degradable cationic polymers THE JOHNS HOPKINS UNIVERSITY (US) 2015-03-31 US disclosed
US-20120128782-A1 Multicomponent Degradable Cationic Polymers THE JOHNS HOPKINS UNIVERSITY (US) 2012-05-24 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-20120128782-A1 Multicomponent Degradable Cationic Polymers PEF1, FIBP, PARN ACHE 4465/4885THRB 3665/4885THRA 3421/4885

“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.