SCHEMBL17401263

SCHEMBL17401263

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCN(C)CCN(CCN(C)CCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CCN(C)CCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.61
ALDH1A1 P00352 6/20 0.60
MAPT P10636 1/20 0.60
THRB P10828 1/20 0.60
CNR1 P21554 1/20 0.60
DNM1 Q05193 1/20 0.57
CYP3A4 P08684 2/20 0.53
ALOX15 P16050 2/20 0.53
TSHR P16473 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
KDM4E B2RXH2 3/20 0.51
F7 P08709 3/20 0.51
F3 P13726 3/20 0.51
PPARG P37231 2/20 0.51
PPARD Q03181 2/20 0.51
PPARA Q07869 2/20 0.51
FABP3 P05413 2/20 0.51
DUSP3 P51452 1/20 0.51
PTPN7 P35236 1/20 0.51

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
SCHEMBL14759950 0.95 MGLL (0.68) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL14759951 0.95 MGLL (0.68) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL17401260 0.92 ALDH1A1 (0.64) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL27059628 0.92 MGLL (0.68) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL20714679 0.92 MGLL (0.68) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL17298643 0.91 MGLL (0.63) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL5868436 0.91 DNM1 (0.69) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL5868433 0.91 DNM1 (0.69) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL19695716 0.90 MGLL (0.64) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL17401269 0.89 DNM1 (0.62) MGLLALDH1A1MAPTTHRBCNR1

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-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
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 MGLL 129/4885ALDH1A1 2532/4885MAPT 3791/4885

“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.