SCHEMBL7038743

SCHEMBL7038743

COc1ccc(C)c(Oc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
CA4 P22748 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
AR P10275 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 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
SCHEMBL424805 0.88 LTA4H (0.50) LTA4HL3MBTL1ALDH1A1MAPK1HTT
SCHEMBL17354635 0.86 ACHE (0.54) L3MBTL1ALDH1A1MAPK1HTTMEN1
SCHEMBL14586633 0.85 LTA4H (0.57) LTA4HL3MBTL1ALDH1A1MAPK1HTT
SCHEMBL10828077 0.85 LTA4H (0.57) LTA4HL3MBTL1ALDH1A1MAPK1HTT
SCHEMBL1980701 0.83 SMN1; SMN2 (0.58) L3MBTL1ALDH1A1MAPK1MEN1KMT2A
SCHEMBL11784875 0.82 CA12 (0.65) LTA4HL3MBTL1ALDH1A1MAPK1HTT
SCHEMBL11015595 0.82 CA12 (0.65) LTA4HL3MBTL1ALDH1A1MAPK1HTT
SCHEMBL30695769 0.80 TSHR (0.50) LTA4HALDH1A1HTTMEN1KMT2A
SCHEMBL822665 0.80 TSHR (0.50) LTA4HALDH1A1HTTMEN1KMT2A
SCHEMBL1961773 0.79 ALDH1A1 (0.63) LTA4HL3MBTL1ALDH1A1MAPK1HTT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020216779-A1 COMPOUNDS COMPRISING N-METHYL-2-PYRIDONE, AND PHARMACEUTICALLY ACCEPTABLE SALTS UNIVERSITY OF DUNDEE (GB) 2020-10-29 WO disclosed
US-8247234-B2 Isotopically labeled compositions and method LOS ALAMOS NATIONAL SECURITY, LLC (US) 2012-08-21 US disclosed
US-20110269985-A1 ISOTOPICALLY LABELED COMPOSITIONS AND METHOD LOS ALAMOS NATIONAL SECURITY, LLC (US) 2011-11-03 US disclosed
EP-0944636-B1 PHENYL GLYOXAMIDES AS sPLA2 INHIBITORS LILLY CO ELI (US) 2003-03-19 EP disclosed
EP-0944636-A4 PHENYL GLYOXAMIDES AS sPLA2 INHIBITORS LILLY CO ELI (US) 2000-07-12 EP disclosed
EP-0944636-A1 PHENYL GLYOXAMIDES AS sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1999-09-29 EP disclosed
US-5916922-A FOR INHIBITING HUMAN NON-PANCREATIC SECRETORY PHOSPHOLIPASE A2 ELI LILLY AND COMPANY (US) 1999-06-29 US disclosed
WO-1998024794-A1 PHENYL GLYOXAMIDES AS sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1998-06-11 WO 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-20110269985-A1 ISOTOPICALLY LABELED COMPOSITIONS AND METHOD SRMS, NES, RPS27A LTA4H 3752/4885L3MBTL1 879/4885ALDH1A1 3543/4885

“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.