SCHEMBL15096376

SCHEMBL15096376

CC(=O)NCCOCCOCCOCCn1cc(CNP(C)(C)=O)nn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.37
DGAT1 O75907 4/20 0.36
F2RL1 P55085 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
DRD2 P14416 3/20 0.35
MMP2 P08253 4/20 0.35
MMP9 P14780 4/20 0.35
MMP8 P22894 4/20 0.35
MMP13 P45452 4/20 0.35
LGALS3 P17931 1/20 0.34
ABCB1 P08183 1/20 0.34
ABCC1 P33527 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
NOTUM Q6P988 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
SCHEMBL26510481 0.90 GBA1 (0.38) GBA1DGAT1F2RL1OPRM1OPRD1
SCHEMBL16645298 0.84 GLS (0.42) GBA1DGAT1F2RL1DRD2MMP2
SCHEMBL2358722 0.83 GBA1 (0.38) GBA1DGAT1F2RL1OPRM1OPRD1
SCHEMBL22396008 0.82 DGAT1 (0.37) GBA1DGAT1F2RL1OPRM1OPRD1
SCHEMBL26701585 0.79 NOTUM (0.38) GBA1DGAT1OPRM1OPRD1OPRK1
SCHEMBL22381488 0.78 NOTUM (0.41) GBA1DGAT1MMP2MMP9MMP8
SCHEMBL26770649 0.77 F2RL1 (0.40) DGAT1F2RL1OPRM1OPRD1OPRK1
SCHEMBL22151452 0.77 DGAT1 (0.39) DGAT1F2RL1OPRM1OPRD1OPRK1
SCHEMBL22151451 0.77 DGAT1 (0.39) DGAT1F2RL1OPRM1OPRD1OPRK1
SCHEMBL29324043 0.76 NOTUM (0.45) GBA1DGAT1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130178609-A1 MODULAR CONSTRUCTION OF LIPOPHOSPHOLIPIDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2013-07-11 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-20130178609-A1 MODULAR CONSTRUCTION OF LIPOPHOSPHOLIPIDS SGMS2, SGMS1, DEGS1 GBA1 374/4885DGAT1 209/4885F2RL1 1064/4885

“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.