SCHEMBL3189448

SCHEMBL3189448

CCCCCCCCCC(C(=O)NCC(O)C(O)C(O)C(O)CO)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 2/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
SIRT2 Q8IXJ6 11/20 0.43
SIRT1 Q96EB6 8/20 0.43
SIRT3 Q9NTG7 5/20 0.43
CTSL P07711 1/20 0.42
CTSS P25774 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
SCHEMBL5972145 0.81 GPR84 (0.44) MEN1KMT2A
SCHEMBL27369903 0.79 CETP (0.54) MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL7537791 0.79 CETP (0.54) MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL17381379 0.79 CETP (0.54) MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL28554083 0.78 ALDH1A1 (0.54) MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL28556815 0.77 ALDH1A1 (0.52) MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL14266012 0.76 EPHX1 (0.43) MEN1KMT2A
SCHEMBL7634006 0.76 CETP (0.50) MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL7641679 0.76 CETP (0.50) MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL7765629 0.76 LMNA (0.56) KMT2ACTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101687769-A Process for preparing benzyl pentahydroxyhexylcarbamoylundecanoate SANOFI AVENTIS DEUTSCHLAND 2010-03-31 CN disclosed
CN-101687769-A Process for preparing benzyl pentahydroxyhexylcarbamoylundecanoate SANOFI AVENTIS DEUTSCHLAND 2010-03-31 CN disclosed
CN-101687769-A Process for preparing benzyl pentahydroxyhexylcarbamoylundecanoate SANOFI AVENTIS DEUTSCHLAND 2010-03-31 CN disclosed
US-7678935-B2 Esters of pentahydroxyhexylcarbamoyl alkanoic acids SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-03-16 US disclosed
US-20090082589-A1 ESTERS OF PENTAHYDROXYHEXYLCARBAMOYL ALKANOIC ACIDS SANOFI-AVENTIS DEUTSCHLAND GMBH 2009-03-26 US disclosed
WO-2009000397-A1 PROCESS FOR PREPARING BENZYL PENTAHYDROXYHEXYLCARBAMOYLUNDECANOATE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-31 WO disclosed
US-20080319221-A1 Esters of Pentahydroxyhexylcarbamoyl Alkanoic Acids SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-25 US disclosed
US-20080319218-A1 Processes for Making and Using Benzyl Pentahydroxyhexylcarbamoylundecanoate SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-25 US disclosed
US-20080319218-A1 Processes for Making and Using Benzyl Pentahydroxyhexylcarbamoylundecanoate SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-25 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 (3 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-20090082589-A1 ESTERS OF PENTAHYDROXYHEXYLCARBAMOYL ALKANOIC ACIDS FASN, ALKBH3, ACAD11 TLR2 1665/4885MEN1 1805/4885ALDH1A1 86/4885
US-20080319221-A1 Esters of Pentahydroxyhexylcarbamoyl Alkanoic Acids FASN, ALKBH3, ACAD11 TLR2 1665/4885MEN1 1805/4885ALDH1A1 86/4885
US-20080319218-A1 Processes for Making and Using Benzyl Pentahydroxyhexylcarbamoylundecanoate HMBS, BLVRB, ALKBH3 TLR2 4602/4885MEN1 1792/4885ALDH1A1 1320/4885

“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.