SCHEMBL809825

SCHEMBL809825

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
GAA P10253 3/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 4/20 0.46
SLC6A9 P48067 2/20 0.46
SLC6A5 Q9Y345 2/20 0.46
ALDH1A1 P00352 4/20 0.46
FFAR1 O14842 1/20 0.45
MEN1 O00255 3/20 0.44
HTT P42858 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CRHBP P24387 1/20 0.44
CYP2C19 P33261 1/20 0.44
CRHR2 Q13324 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44

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
SCHEMBL812476 1.00 L3MBTL1 (0.59) L3MBTL1GAALMNAHPGDKMT2A
SCHEMBL809634 0.93 L3MBTL1 (0.67) L3MBTL1GAALMNAKMT2AALDH1A1
SCHEMBL812999 0.93 L3MBTL1 (0.67) L3MBTL1GAALMNAKMT2AALDH1A1
SCHEMBL809823 0.87 L3MBTL1 (0.70) L3MBTL1GAALMNAKMT2AALDH1A1
SCHEMBL812734 0.87 L3MBTL1 (0.70) L3MBTL1GAALMNAKMT2AALDH1A1
SCHEMBL812780 0.85 KMT2A (0.50) L3MBTL1LMNAKMT2ASLC6A9ALDH1A1
SCHEMBL809596 0.85 KMT2A (0.50) L3MBTL1LMNAKMT2ASLC6A9ALDH1A1
SCHEMBL812643 0.84 L3MBTL1 (0.55) L3MBTL1GAALMNAKMT2AALDH1A1
SCHEMBL809688 0.84 L3MBTL1 (0.55) L3MBTL1GAALMNAKMT2AALDH1A1
SCHEMBL28632502 0.80 LTA4H (0.45) L3MBTL1KMT2ASLC6A9ALDH1A1MEN1

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 3514/4885GAA 4167/4885LMNA 924/4885

“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.