SCHEMBL17401261

SCHEMBL17401261

CCCCCCCCCCCCCCCCC(=O)OCCN1CCN(CCOC(=O)CCCCCCCCCCCCCCCC)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.67
DNM1 Q05193 1/20 0.56
PAM P19021 2/20 0.51
HRH2 P25021 4/20 0.49
HRH1 P35367 4/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
TSHR P16473 1/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 1/20 0.47
NAAA Q02083 1/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
KDM4E B2RXH2 1/20 0.46
DUSP3 P51452 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL17401259 1.00 DGKA (0.67) DGKADNM1PAMHRH2HRH1
SCHEMBL11628693 1.00 DGKA (0.67) DGKADNM1PAMHRH2HRH1
SCHEMBL13674269 0.94 DGKA (0.59) DGKADNM1PAMHRH2HRH1
SCHEMBL16312536 0.92 DGKA (0.56) DGKADNM1PAMHRH2HRH1
SCHEMBL12120107 0.92 DGKA (0.61) DGKADNM1PAMHRH2HRH1
SCHEMBL23864897 0.92 DGKA (0.61) DGKADNM1PAMHRH2HRH1
SCHEMBL17401288 0.92 DGKA (0.61) DGKADNM1PAMHRH2HRH1
SCHEMBL12120109 0.92 DGKA (0.61) DGKADNM1PAMHRH2HRH1
SCHEMBL12120095 0.92 DGKA (0.61) DGKADNM1PAMHRH2HRH1
SCHEMBL12120105 0.92 DGKA (0.61) DGKADNM1PAMHRH2HRH1

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-9840479-B2 Polyamine-fatty acid derived lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-12-12 US disclosed
US-9840479-B2 Polyamine-fatty acid derived lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-12-12 US disclosed
WO-2016004202-A1 POLYAMINE-FATTY ACID DERIVED LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-01-07 WO disclosed
US-20160002178-A1 POLYAMINE-FATTY ACID DERIVED LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-01-07 US disclosed
US-20160002178-A1 POLYAMINE-FATTY ACID DERIVED LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-01-07 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-20160002178-A1 POLYAMINE-FATTY ACID DERIVED LIPIDOIDS AND USES THEREOF SGMS2, SGMS1, ARG2 DGKA 117/4885DNM1 2046/4885PAM 898/4885

“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.