SCHEMBL6027197

SCHEMBL6027197

O=CCC(=O)CC(=O)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NAPRT Q6XQN6 1/20 0.47
P4HTM Q9NXG6 1/20 0.47
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CTNNB1 P35222 5/20 0.45
WNT3A P56704 3/20 0.45
GRM4 Q14833 2/20 0.45
MEN1 O00255 1/20 0.42
GSK3B P49841 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 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
SCHEMBL225566 0.86 CES2 (0.55) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL33721999 0.86 CES2 (0.59) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL2544523 0.86 CES2 (0.59) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL29355245 0.82 CES2 (0.64) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL253276 0.82 CES2 (0.64) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL13212906 0.79 CES2 (0.52) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL9493294 0.77 LMNA (0.61) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL9747177 0.76 CTNNB1 (0.55) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL9396240 0.75 ALDH1A1 (0.49) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL1360847 0.75 ALDH1A1 (0.62) CES2CES1LMNAL3MBTL1NAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060019853-A1 Use of metal complex compounds as catalysts for oxidation using molecular oxygen or air CIBA SPECIALTY CHEMICALS CORP. 2006-01-26 US disclosed
EP-1556468-A1 USE OF METAL COMPLEX COMPOUNDS AS CATALYSTS FOR OXIDATION USING MOLECULAR OXYGEN OR AIR Ciba SC Holding AG (CH) 2005-07-27 EP disclosed
WO-2004039933-A1 USE OF METAL COMPLEX COMPOUNDS AS CATALYSTS FOR OXIDATION USING MOLECULAR OXYGEN OR AIR CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-05-13 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-20060019853-A1 Use of metal complex compounds as catalysts for oxidation using molecular oxygen or air COX14, MICOS13, OR10J3 CES2 2446/4885CES1 3464/4885LMNA 3537/4885

“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.