SCHEMBL5577366

SCHEMBL5577366

CC(=O)CCOC(OCCC(C)=O)OCCC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
LMNA P02545 1/20 0.39
SLC15A2 Q16348 1/20 0.39
TDP1 Q9NUW8 2/20 0.33
ACHE P22303 1/20 0.33
PAOX Q6QHF9 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
THRB P10828 1/20 0.32
TRPA1 O75762 1/20 0.32

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
SCHEMBL5114255 0.81
SCHEMBL20636979 0.79
SCHEMBL19606552 0.77
SCHEMBL8379654 0.75 ALDH1A1 (0.39) ALDH1A1LMNASLC15A2TDP1
SCHEMBL5577365 0.74 ALDH1A1 (0.43) ALDH1A1LMNASLC15A2TDP1ACHE
SCHEMBL10993375 0.74 ALDH1A1 (0.38) ALDH1A1LMNASLC15A2
SCHEMBL126775 0.73 ALDH1A1 (0.56) ALDH1A1LMNASLC15A2TDP1ACHE
SCHEMBL20378893 0.72 ALDH1A1 (0.36) ALDH1A1LMNASLC15A2TDP1
SCHEMBL20524894 0.72 ALDH1A1 (0.36) ALDH1A1LMNASLC15A2TDP1
SCHEMBL11814795 0.71 ALDH1A1 (0.35) ALDH1A1LMNASLC15A2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179100-A1 Protected monomers ALNYLAM PHARMACEUTICALS, INC. 2007-08-02 US disclosed
EP-1625138-A2 PROTECTED MONOMERS Alnylam Pharmaceuticals Inc. (US) 2006-02-15 EP disclosed
US-20040242530-A1 Orthoester protecting groups DHARMACON, INC. 2004-12-02 US disclosed
WO-2004094345-A2 PROTECTED MONOMERS ALNYLAM PHARMACEUTICALS INC. (US) 2004-11-04 WO disclosed
US-6590093-B1 Modified RNA which can be easily handled and analyzed with minimal degradation; stability; can use in synthesis of polymers containing RNA nucleotides DHARMACON, INC. 2003-07-08 US disclosed
US-6111086-A BLOCKING AGENTS FOR 2'-O POSITION DURING RNA SYNTHESIS; CLEAVABLE UNDER MILD ACIDIC CONDITIONS LEAVING QUALITY RNA DHARMACON, INC. 2000-08-29 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 (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-20040242530-A1 Orthoester protecting groups NSUN2, RNGTT, NOP2 ALDH1A1 1506/4885LMNA 1587/4885SLC15A2 4610/4885
US-20070179100-A1 Protected monomers PCNA, POLN, PARP1 ALDH1A1 1923/4885LMNA 111/4885SLC15A2 4381/4885

“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.