SCHEMBL2622729

SCHEMBL2622729

CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNc1ccc([N+](C)=O)c2nonc12)OC(=O)CCCCCCC/C=C\CCCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 1/20 0.53
▸ FABP3 P05413 1/20 0.47
▸ NR5A2 O00482 1/20 0.47
▸ NR5A1 Q13285 1/20 0.47
▸ LPAR3 Q9UBY5 4/20 0.45
▸ LPAR1 Q92633 3/20 0.45
▸ ENPP2 Q13822 2/20 0.44
▸ S1PR1 P21453 2/20 0.43
▸ S1PR4 O95977 1/20 0.43
▸ S1PR3 Q99500 1/20 0.43
▸ S1PR5 Q9H228 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PRKCE Q02156 1/20 0.43
▸ PRKCQ Q04759 1/20 0.43
▸ PRKCD Q05655 1/20 0.43
▸ PRKCA P17252 1/20 0.43
▸ DAGLA Q9Y4D2 1/20 0.42
▸ P2RY10 O00398 2/20 0.42
▸ GPR34 Q9UPC5 1/20 0.42

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
SCHEMBL4222844 0.90 FABP3 (0.50) SELPFABP3NR5A2NR5A1LPAR3
SCHEMBL2360799 0.89 S1PR1 (0.53) SELPFABP3NR5A2NR5A1LPAR3
SCHEMBL6704299 0.84 S1PR1 (0.48) SELPFABP3LPAR3LPAR1ENPP2
SCHEMBL6510371 0.84 S1PR1 (0.48) SELPFABP3LPAR3LPAR1ENPP2
SCHEMBL12272715 0.81 S1PR1 (0.56) LPAR3LPAR1ENPP2S1PR1S1PR4
SCHEMBL17240248 0.81 S1PR1 (0.56) LPAR3LPAR1ENPP2S1PR1S1PR4
SCHEMBL15500035 0.81 S1PR1 (0.56) LPAR3LPAR1ENPP2S1PR1S1PR4
SCHEMBL4407962 0.81 SMN1; SMN2 (0.56) SELPFABP3NR5A2NR5A1S1PR1
SCHEMBL974551 0.81 SMN1; SMN2 (0.56) SELPFABP3NR5A2NR5A1S1PR1
SCHEMBL3424607 0.80 PRKCA (0.55) SELPS1PR1S1PR4S1PR3S1PR5

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-20120100077-A1 MIXTURE OF AMPHIPATHIC MOLECULES AND METHOD FOR MODIFYING CELL MEMBRANES BY MEANS OF FUSION FORSCHUNGSZENTRUM JUELICH GMBH (DE) 2012-04-26 — — 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-20120100077-A1 MIXTURE OF AMPHIPATHIC MOLECULES AND METHOD FOR MODIFYING CELL MEMBRANES BY MEANS OF FUSION ANXA2, DNM2, ANXA6 SELP 916/4885FABP3 94/4885NR5A2 4747/4885

“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.

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