SCHEMBL3191709

SCHEMBL3191709

CCOc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OC(CC)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.41
AAK1 Q2M2I8 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HIF1A Q16665 3/20 0.38
LIPG Q9Y5X9 5/20 0.36
LPL P06858 4/20 0.35
DGAT1 O75907 1/20 0.35
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
P4HB P07237 1/20 0.34
F2 P00734 1/20 0.33
F11 P03951 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
TSHR P16473 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
SCHEMBL182626 0.81 LPL (0.47) AAK1HIF1ALIPGLPLF11
SCHEMBL3204011 0.81 L3MBTL1 (0.52) AAK1SMN1; SMN2HIF1ALIPGDGAT1
SCHEMBL20563104 0.81 AAK1 (0.43) AAK1SMN1; SMN2HIF1ALIPGLPL
SCHEMBL4816734 0.79 SMN1; SMN2 (0.51) PPARAAAK1SMN1; SMN2HIF1ALIPG
SCHEMBL20561757 0.79 LIPG (0.45) AAK1HIF1ALIPGLPLDGAT1
SCHEMBL20505191 0.79 LIPG (0.45) AAK1HIF1ALIPGLPLDGAT1
SCHEMBL28339407 0.79 PDE4A (0.43) AAK1SMN1; SMN2HIF1ALIPGLPL
SCHEMBL28341940 0.79 ALOX15 (0.43) AAK1HIF1ALIPGLPL
SCHEMBL16898733 0.78 HIF1A (0.44) AAK1HIF1ALIPGLPLDGAT1
SCHEMBL16428161 0.77 LPL (0.44) SMN1; SMN2LIPGLPLF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674938-B2 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-03-09 US disclosed
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. 2008-10-09 US disclosed
US-7417169-B2 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-08-26 US disclosed
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-04-05 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-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these ADRB2, ADRA2A, ADRA1A PPARA 752/4885AAK1 2622/4885SMN1; SMN2 4525/4885
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF ADRB3, ADRA2C, ADRA1A PPARA 271/4885AAK1 1770/4885SMN1; SMN2 4746/4885

“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.