SCHEMBL10072107

SCHEMBL10072107

O=C(CO)COCC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
SLC1A3 P43003 3/20 0.39
SLC1A2 P43004 3/20 0.39
SLC1A1 P43005 3/20 0.39
PARP15 Q460N3 2/20 0.37
PARP10 Q53GL7 2/20 0.37
NAAA Q02083 1/20 0.36
SPHK1 Q9NYA1 3/20 0.35
GBA1 P04062 2/20 0.34
UGCG Q16739 2/20 0.34
GBA2 Q9HCG7 2/20 0.34
ATF4 P18848 1/20 0.34
EPHX1 P07099 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 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
SCHEMBL1143117 0.82 LMNA (0.41) LMNASLC1A3SLC1A2SLC1A1PARP15
SCHEMBL6133282 0.81 LMNA (0.47) LMNASLC1A3SLC1A2SLC1A1NAAA
SCHEMBL17330348 0.80 NAAA (0.41) LMNASLC1A3SLC1A2SLC1A1NAAA
SCHEMBL1143120 0.80 LMNA (0.38) LMNASLC1A3SLC1A2SLC1A1PARP15
SCHEMBL1143159 0.79 LMNA (0.42) LMNASLC1A3SLC1A2SLC1A1PARP15
SCHEMBL2346158 0.79 LMNA (0.53) LMNASLC1A3SLC1A2SLC1A1THRA
SCHEMBL9132825 0.79 LMNA (0.53) LMNASLC1A3SLC1A2SLC1A1THRA
SCHEMBL1142540 0.79 NAAA (0.47) LMNANAAASPHK1KMT2A
SCHEMBL27546187 0.78 PTGIR (0.41) SLC1A3SLC1A2SLC1A1PARP15PARP10
SCHEMBL1143138 0.78 NAAA (0.40) LMNANAAASPHK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130272978-A1 DIHYDROXYACETONE MONOETHERS MERCK PATENT GMBH (DE) 2013-10-17 US disclosed
US-20130272978-A1 DIHYDROXYACETONE MONOETHERS MERCK PATENT GMBH (DE) 2013-10-17 US disclosed
WO-2012084121-A1 DIHYDROXYACETONE MONOETHER MERCK PATENT GMBH (DE) 2012-06-28 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 (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-20130272978-A1 DIHYDROXYACETONE MONOETHERS GNPAT, UGT1A7, UGT1A3 LMNA 4222/4885SLC1A3 1872/4885SLC1A2 1718/4885

“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.