SCHEMBL5744906

SCHEMBL5744906

CC(C)(C)OC(=O)CC(=O)C[C@@H](COCc1ccccc1)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.49
CTSS P25774 1/20 0.47
PPARG P37231 1/20 0.45
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KLK7 P49862 2/20 0.40
KLK5 Q9Y337 2/20 0.40
SYK P43405 1/20 0.39
CA1 P00915 1/20 0.39
ATM Q13315 1/20 0.39
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
SLC1A1 P43005 1/20 0.38
REN P00797 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL5829155 0.85 PPARA (0.51) PPARACTSSPPARGNPSR1KLK7
SCHEMBL6482683 0.85 PPARA (0.51) PPARACTSSPPARGNPSR1KLK7
SCHEMBL4669396 0.81 KLK7 (0.41) PPARACTSSPPARGNPSR1L3MBTL1
SCHEMBL26986079 0.80 PPARA (0.50) PPARACTSSPPARGNPSR1L3MBTL1
SCHEMBL4545478 0.79 PPARA (0.48) PPARACTSSPPARGNPSR1L3MBTL1
SCHEMBL19215337 0.78 PPARA (0.46) PPARACTSSPPARGL3MBTL1SYK
SCHEMBL26985988 0.77 PPARA (0.52) PPARACTSSPPARGNPSR1L3MBTL1
SCHEMBL26985920 0.77 CA1 (0.55) PPARACTSSPPARGNPSR1L3MBTL1
SCHEMBL9427199 0.77 L3MBTL1 (0.49) PPARACTSSPPARGNPSR1L3MBTL1
SCHEMBL18601225 0.77 PPARA (0.46) PPARACTSSPPARGNPSR1L3MBTL1

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
EP-1288213-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE 2- 6-(HYDROXY-METHYL)-1,3-DIOXAN-4-YL|ACETIC ACID DERIVATIVES KANEKA CORP (JP) 2006-11-29 EP disclosed
US-20060246557-A1 Process for preparing optically active 2-[6-(hydroxy-methyl)-1,3-dioxan-4-yl] acetic acid derivatives KANEKA CORPORATION (JP) 2006-11-02 US disclosed
US-7094594-B2 Process for preparing optically active 2-[6-(hydroxy-methyl)-1,3-dioxan-4-yl] acetic acid derivatives KANEKA CORPORATION (JP) 2006-08-22 US disclosed
US-20050080277-A1 Process for preparing optically active 2-[6-(hydroxy-methyl)-1,3-dioxan-4-yl] acetic acid derivatives KANEKA CORPORATION (JP) 2005-04-14 US disclosed
EP-1288213-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE 2- 6-(HYDROXY-METHYL)-1,3-DIOXAN-4-YL]ACETIC ACID DERIVATIVES KANEKA CORPORATION (JP) 2003-03-05 EP 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-20060246557-A1 Process for preparing optically active 2-[6-(hydroxy-methyl)-1,3-dioxan-4-yl] acetic acid derivatives HAAO, APEH, HPD PPARA 1157/4885CTSS 4262/4885PPARG 1757/4885
US-20050080277-A1 Process for preparing optically active 2-[6-(hydroxy-methyl)-1,3-dioxan-4-yl] acetic acid derivatives HAAO, APEH, HPD PPARA 1081/4885CTSS 4118/4885PPARG 1615/4885

“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.