SCHEMBL14980596

SCHEMBL14980596

CCCN(CCC)CCNCCNCCN(CC)CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2C19 P33261 3/20 0.32
CYP2C9 P11712 2/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
SLC22A2 O15244 1/20 0.31
SLC22A1 O15245 1/20 0.31
ACHE P22303 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL14980591 0.93 PAOX (0.36) PAOXKMT2AMEN1LMNANPSR1
SCHEMBL758215 0.89 TSHR (0.38) KMT2AMEN1CYP2C19CYP2C9ALDH1A1
SCHEMBL229973 0.87 PAOX (0.43) PAOXKMT2AMEN1LMNANPSR1
SCHEMBL14980593 0.86 CYP2C19 (0.40) PAOXKMT2AMEN1LMNANPSR1
SCHEMBL14980615 0.85 CYP2C19 (0.43) KMT2AMEN1CYP2C19CYP2C9ALDH1A1
SCHEMBL10144492 0.85 PAOX (0.33) PAOXKMT2AMEN1LMNANPSR1
SCHEMBL8015726 0.84 ALDH1A1 (0.35) PAOXCYP2C19CYP2C9ALDH1A1TSHR
SCHEMBL8347582 0.84 ALDH1A1 (0.35) PAOXCYP2C19CYP2C9ALDH1A1TSHR
SCHEMBL7366067 0.84 PAOX (0.39) PAOXKMT2AMEN1LMNANPSR1
SCHEMBL8345026 0.83 PRMT3 (0.35) CYP2C19CYP2C9ALDH1A1TSHR

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-9556110-B2 Aminoalcohol lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-01-31 US disclosed
US-20150203439-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2015-07-23 US disclosed
US-8969353-B2 Aminoalcohol lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-03-03 US disclosed
US-8450298-B2 Aminoalcohol lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-05-28 US disclosed
US-20110293703-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-12-01 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-20150203439-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF PHOSPHO1, PNMT, AASDHPPT PAOX 246/4885KMT2A 1576/4885MEN1 2403/4885
US-20110293703-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF PHOSPHO1, PNMT, AASDHPPT PAOX 246/4885KMT2A 1576/4885MEN1 2403/4885

“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.