SCHEMBL809676

SCHEMBL809676

N#Cc1ccc([C@H](CC=O)CC(=O)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.48
ATM Q13315 2/20 0.45
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
GSK3B P49841 1/20 0.42
PTPN1 P18031 2/20 0.41
KDM4E B2RXH2 2/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
POLB P06746 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.39
EEF2K O00418 1/20 0.39
HSD11B1 P28845 1/20 0.39
CA1 P00915 2/20 0.38

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
SCHEMBL813028 1.00 L3MBTL1 (0.48) L3MBTL1ATMALDH1A1MAPTLMNA
SCHEMBL809740 0.85 ATM (0.58) L3MBTL1ATMALDH1A1MAPTLMNA
SCHEMBL814384 0.85 ATM (0.58) L3MBTL1ATMALDH1A1MAPTLMNA
SCHEMBL812643 0.84 L3MBTL1 (0.55) L3MBTL1ALDH1A1MAPTLMNAGSK3B
SCHEMBL809688 0.84 L3MBTL1 (0.55) L3MBTL1ALDH1A1MAPTLMNAGSK3B
SCHEMBL12174629 0.83 L3MBTL1 (0.54) L3MBTL1ATMALDH1A1MAPTLMNA
SCHEMBL2576916 0.83 L3MBTL1 (0.54) L3MBTL1ATMALDH1A1MAPTLMNA
SCHEMBL8695510 0.79 KMT2A (0.50) L3MBTL1ATMALDH1A1MAPTLMNA
SCHEMBL812068 0.77 ATM (0.49) L3MBTL1ATMALDH1A1MAPTLMNA
SCHEMBL809667 0.77 ATM (0.49) L3MBTL1ATMALDH1A1MAPTLMNA

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 3514/4885ATM 3038/4885ALDH1A1 1287/4885

“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.