SCHEMBL15782883

SCHEMBL15782883

COC(=O)CCN(CCC(=O)OC)CCN(CCC(=O)OC)CCN1CCN(CCN(CCC(=O)OC)CCC(=O)OC)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 3/20 0.41
GLA P06280 1/20 0.39
PAOX Q6QHF9 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CACNA1C Q13936 1/20 0.34
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
TP53 P04637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPRT1 P00492 1/20 0.34
KDM1A O60341 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL15781702 0.98 MEN1 (0.47) MEN1KMT2ASMN1; SMN2TSHRGLA
SCHEMBL15782977 0.92 SMN1; SMN2 (0.43) MEN1KMT2ASMN1; SMN2TSHRGLA
SCHEMBL17705178 0.92 SMN1; SMN2 (0.42) MEN1KMT2ASMN1; SMN2TSHRGLA
SCHEMBL15781707 0.90 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2TSHRGLA
SCHEMBL15782700 0.90 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2TSHRGLA
SCHEMBL15782975 0.89 SMN1; SMN2 (0.38) MEN1KMT2ASMN1; SMN2TSHRGLA
SCHEMBL17705606 0.89 KMT2A (0.43) MEN1KMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL15781658 0.88 MEN1 (0.44) MEN1KMT2ASMN1; SMN2TSHRGLA
SCHEMBL15783058 0.88 SMN1; SMN2 (0.39) MEN1KMT2ASMN1; SMN2TSHRGLA
SCHEMBL15782699 0.86 SMN1; SMN2 (0.38) MEN1KMT2ASMN1; SMN2TSHRGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9439968-B2 Amine-containing lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-09-13 US disclosed
US-20160114042-A1 AMINE-CONTAINING LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-04-28 US disclosed
US-9227917-B2 Amine-containing lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-01-05 US disclosed
US-20140161830-A1 AMINE-CONTAINING LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-06-12 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-20160114042-A1 AMINE-CONTAINING LIPIDOIDS AND USES THEREOF ABCB4, PHOSPHO1, SGMS2 MEN1 2774/4885KMT2A 267/4885SMN1; SMN2 3092/4885
US-20140161830-A1 AMINE-CONTAINING LIPIDOIDS AND USES THEREOF ABCB4, PHOSPHO1, SGMS2 MEN1 2774/4885KMT2A 267/4885SMN1; SMN2 3092/4885

“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.