SCHEMBL809634

SCHEMBL809634

COc1ccc(C(=O)C[C@@H](CC=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.67
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
GSK3B P49841 1/20 0.49
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 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
SCHEMBL812999 1.00 L3MBTL1 (0.67) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL809825 0.93 L3MBTL1 (0.59) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL812476 0.93 L3MBTL1 (0.59) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL812734 0.93 L3MBTL1 (0.70) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL809823 0.93 L3MBTL1 (0.70) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL812643 0.90 L3MBTL1 (0.55) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL809688 0.90 L3MBTL1 (0.55) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2169972 0.82 L3MBTL1 (0.47) L3MBTL1ALDH1A1TDP1HTTCA1
SCHEMBL8943149 0.82 HDAC3 (0.51) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10584594 0.81 L3MBTL1 (0.73) L3MBTL1HDAC3HDAC4HDAC1HDAC7

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 5 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-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 3514/4885HDAC3 933/4885HDAC4 3013/4885

“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.