SCHEMBL7743641

SCHEMBL7743641

COc1cccc(C(C(C)=O)C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.52
MTNR1B P49286 8/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
PTGS1 P23219 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
LMNA P02545 1/20 0.46
AOC3 Q16853 1/20 0.45
TDP1 Q9NUW8 1/20 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
SCHEMBL24765275 0.91 L3MBTL1 (0.55) MTNR1AMTNR1BL3MBTL1NPC1RAB9A
SCHEMBL9765684 0.91 L3MBTL1 (0.55) MTNR1AMTNR1BL3MBTL1PTGS1NPC1
SCHEMBL2400875 0.87 L3MBTL1 (0.59) MTNR1AMTNR1BL3MBTL1PTGS1NPC1
SCHEMBL6312058 0.85 MTNR1A (0.51) MTNR1AMTNR1BL3MBTL1NPC1RAB9A
SCHEMBL18978189 0.85 L3MBTL1 (0.50) MTNR1AMTNR1BL3MBTL1PTGS1NPC1
SCHEMBL8534165 0.85 L3MBTL1 (0.50) MTNR1AMTNR1BL3MBTL1PTGS1NPC1
SCHEMBL18978188 0.83 L3MBTL1 (0.48) MTNR1AMTNR1BL3MBTL1PTGS1NPC1
SCHEMBL10382783 0.83 L3MBTL1 (0.48) MTNR1AMTNR1BL3MBTL1PTGS1NPC1
SCHEMBL29014520 0.81 L3MBTL1 (0.52) MTNR1AMTNR1BL3MBTL1AOC3TDP1
SCHEMBL22917042 0.80 MTNR1A (0.56) MTNR1AMTNR1BL3MBTL1PTGS1NPC1

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-9682938-B2 Pyrazolone derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed
EP-3148972-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS Cardioxyl Pharmaceuticals Inc. (US) 2017-04-05 EP disclosed
WO-2015183839-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-12-03 WO disclosed
US-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2015-12-03 US disclosed
EP-1109802-A1 SPIROFLUORENOPYRANS Optische Werke G. Rodenstock (DE) 2001-06-27 EP disclosed
WO-2001002384-A1 SPIROFLUORENOPYRANS OPTISCHE WERKE G. RODENSTOCK (DE) 2001-01-11 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-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS TNNI3, PFKP, NOX5 MTNR1A 2060/4885MTNR1B 1842/4885L3MBTL1 4438/4885

“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.