SCHEMBL5745227

SCHEMBL5745227

CCCC(=O)C(O)(O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.46
HDAC1 Q13547 4/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
FFAR3 O14843 3/20 0.46
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
TSHR P16473 6/20 0.38
ALDH1A1 P00352 4/20 0.36
AKR1B1 P15121 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
FAAH O00519 1/20 0.34
PPARG P37231 6/20 0.33
PPARD Q03181 6/20 0.33
PPARA Q07869 6/20 0.33
HDAC11 Q96DB2 5/20 0.33
GPR84 Q9NQS5 4/20 0.33
TLR2 O60603 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
FABP4 P15090 2/20 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
SCHEMBL6891977 0.81 FAAH (0.57) CES2CES1TSHRALDH1A1FAAH
SCHEMBL9346590 0.79 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL5270259 0.77 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC8FFAR3
Hydrogen Sulfide SCHEMBL28112419 0.75 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL28422359 0.75
SCHEMBL1525041 0.74 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL7454835 0.74 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL31476971 0.73 AKR1B1 (0.41) TSHRALDH1A1AKR1B1FAAHPPARG
SCHEMBL28256993 0.73 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL28687646 0.72

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 13 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
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-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-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
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-A4 PROCESS FOR PREPARING OPTICALLY ACTIVE 2- 6-(HYDROXY-METHYL)-1,3-DIOXAN-4-YL]ACETIC ACID DERIVATIVES KANEKA CORP (JP) 2004-03-31 EP disclosed
EP-1184380-B1 Ammonium 3,5,6-trihydroxyhexanoate derivatives and preparation process thereof TAKASAGO PERFUMERY CO LTD (JP) 2004-02-25 EP 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
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
WO-2001094337-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE 2-[6-(HYDROXY-METHYL)-1,3-DIOXAN-4-YL]ACETIC ACID DERIVATIVES KANEKA CORPORATION (JP) 2001-12-13 WO 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 HDAC3 1389/4885HDAC1 1844/4885HDAC2 2232/4885
US-20050080277-A1 Process for preparing optically active 2-[6-(hydroxy-methyl)-1,3-dioxan-4-yl] acetic acid derivatives HAAO, APEH, HPD HDAC3 1326/4885HDAC1 1849/4885HDAC2 2239/4885

“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.