SCHEMBL809823

SCHEMBL809823

COc1ccc(C(=O)C[C@@H](CC=O)c2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.70
ALDH1A1 P00352 4/20 0.52
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
POLB P06746 2/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ATM Q13315 1/20 0.48
HSD11B1 P28845 1/20 0.47
MAPT P10636 2/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
LMNA P02545 1/20 0.46
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
FNTA P49354 1/20 0.45

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
SCHEMBL812734 1.00 L3MBTL1 (0.70) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL812999 0.93 L3MBTL1 (0.67) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL809634 0.93 L3MBTL1 (0.67) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL812476 0.87 L3MBTL1 (0.59) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL809825 0.87 L3MBTL1 (0.59) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL814384 0.85 ATM (0.58) L3MBTL1ALDH1A1SMN1; SMN2TDP1POLB
SCHEMBL809740 0.85 ATM (0.58) L3MBTL1ALDH1A1SMN1; SMN2TDP1POLB
SCHEMBL809581 0.85 ATM (0.51) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL812397 0.85 ATM (0.51) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12158739 0.85 L3MBTL1 (0.76) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2

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-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
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
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 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 L3MBTL1 3514/4885ALDH1A1 1287/4885NPC1 902/4885

“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.