SCHEMBL809450

SCHEMBL809450

CCOC(=O)C(C)[C@@H](C=O)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CTSB P07858 2/20 0.43
CTSK P43235 2/20 0.43
EPHX2 P34913 1/20 0.43
PPARG P37231 1/20 0.43
CTSL P07711 1/20 0.43
CTSH P09668 1/20 0.43
TP53 P04637 1/20 0.43
PIN1 Q13526 1/20 0.43
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 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
SCHEMBL15340794 0.81 MMP8 (0.56) MMP8L3MBTL1SMN1; SMN2LMNAALDH1A1
SCHEMBL15340786 0.81 MMP8 (0.56) MMP8L3MBTL1SMN1; SMN2LMNAALDH1A1
SCHEMBL14401024 0.80 MMP8 (0.50) MMP8L3MBTL1SMN1; SMN2ALDH1A1CTSB
SCHEMBL3182607 0.80 MMP8 (0.55) MMP8L3MBTL1SMN1; SMN2LMNAALDH1A1
SCHEMBL1892061 0.77 MMP8 (0.59) MMP8L3MBTL1SMN1; SMN2LMNAALDH1A1
SCHEMBL12311754 0.77 MMP8 (0.59) MMP8L3MBTL1SMN1; SMN2LMNAALDH1A1
SCHEMBL563663 0.77 PPARG (0.53) MMP8L3MBTL1SMN1; SMN2ALDH1A1EPHX2
SCHEMBL5646599 0.76 MMP8 (0.46) MMP8L3MBTL1SMN1; SMN2ALDH1A1CTSK
SCHEMBL18857043 0.76 CTRB1 (0.51) LMNAALDH1A1CTSBCTSKCTSL
Bicarbonate SCHEMBL27963012 0.76 MMP8 (0.58) MMP8L3MBTL1SMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 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 (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-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis SCO2, CBR1, CBR3 MMP8 1876/4885L3MBTL1 3514/4885SMN1; SMN2 3982/4885

“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.