SCHEMBL809667

SCHEMBL809667

O=CC[C@H](CC(=O)c1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GSK3B P49841 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
MAPT P10636 1/20 0.43
PDPK1 O15530 1/20 0.42
HSD11B1 P28845 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL812068 1.00 ATM (0.49) ATMKMT2AMEN1L3MBTL1NPC1
SCHEMBL809740 0.91 ATM (0.58) ATMKMT2AMEN1L3MBTL1HPGD
SCHEMBL814384 0.91 ATM (0.58) ATMKMT2AMEN1L3MBTL1HPGD
SCHEMBL812397 0.87 ATM (0.51) ATMKMT2AMEN1L3MBTL1NPC1
SCHEMBL809581 0.87 ATM (0.51) ATMKMT2AMEN1L3MBTL1NPC1
SCHEMBL657081 0.84 ATM (0.55) ATMKMT2AMEN1L3MBTL1NPC1
SCHEMBL812734 0.83 L3MBTL1 (0.70) ATMKMT2AMEN1L3MBTL1NPC1
SCHEMBL809823 0.83 L3MBTL1 (0.70) ATMKMT2AMEN1L3MBTL1NPC1
SCHEMBL27511611 0.79 GABBR2 (0.45) KMT2AMEN1LMNAMAPTTSHR
SCHEMBL7423595 0.79 GABBR2 (0.61) KMT2AMEN1ALDH1A1LMNAMAPT

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 ATM 3038/4885KMT2A 2300/4885MEN1 682/4885

“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.