SCHEMBL8779567

SCHEMBL8779567

COc1ccccc1N(C(=O)O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PAX8 Q06710 1/20 0.46
TLR9 Q9NR96 1/20 0.46
MAPK1 P28482 1/20 0.44
POLB P06746 3/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
HPGD P15428 2/20 0.42
ESR1 P03372 1/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 2/20 0.41
MEN1 O00255 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
SCHEMBL8426550 0.81 L3MBTL1 (0.46) KMT2AL3MBTL1SMN1; SMN2PAX8TLR9
SCHEMBL21183514 0.79 KMT2A (0.49) KMT2AL3MBTL1SMN1; SMN2PAX8TLR9
SCHEMBL4333889 0.79 ALDH1A1 (0.46) L3MBTL1SMN1; SMN2POLBHTTCA12
SCHEMBL4601280 0.78 PAX8 (0.50) KMT2ASMN1; SMN2PAX8TLR9POLB
SCHEMBL8779753 0.77 TSPO (0.53) KMT2ASMN1; SMN2PAX8TLR9POLB
SCHEMBL829847 0.75 ALDH1A1 (0.46) KMT2ASMN1; SMN2POLBESR1ALDH1A1
SCHEMBL19974868 0.74 PAX8 (0.45) KMT2AL3MBTL1PAX8TLR9MAPK1
SCHEMBL713040 0.74 PTGIR (0.51) KMT2AL3MBTL1SMN1; SMN2PAX8TLR9
SCHEMBL11206279 0.74 CA1 (0.50) KMT2AL3MBTL1PAX8TLR9MAPK1
SCHEMBL5655590 0.72 CA12 (0.43) KMT2AL3MBTL1SMN1; SMN2PAX8TLR9

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-20150119376-A2 CYCLOALKENYL ARYL DERIVATIVES FOR CETP INHIBITOR CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-04-30 US disclosed
US-20140031335-A1 CYCLOALKENYL ARYL DERIVATIVES FOR CETP INHIBITOR CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-01-30 US disclosed
EP-0525197-B1 3-BENZYLIDENE-1-CARBAMOYL-2-PYRROLIDONE ANALOGS SHIONOGI & CO (JP) 1997-08-27 EP disclosed
US-5319100-A Antiinflammatory agent which does not cause stomach diseases SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-06-07 US disclosed
US-5319099-A Antiinflammatory agent which does not cause stomach diseases SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-06-07 US disclosed
EP-0525197-A1 3-BENZYLIDENE-1-CARBAMOYL-2-PYRROLIDONE ANALOG SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-02-03 EP 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 (2 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-20150119376-A2 CYCLOALKENYL ARYL DERIVATIVES FOR CETP INHIBITOR CETP, MTTP, LCAT KMT2A 2470/4885L3MBTL1 3110/4885SMN1; SMN2 4881/4885
US-20140031335-A1 CYCLOALKENYL ARYL DERIVATIVES FOR CETP INHIBITOR CETP, MTTP, LCAT KMT2A 2470/4885L3MBTL1 3110/4885SMN1; SMN2 4881/4885

“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.