SCHEMBL3477637

SCHEMBL3477637

CCOC(=O)Cc1cc(-c2ccco2)cc(CC(=O)OCC)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 8/20 0.49
POLB P06746 5/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 3/20 0.48
GAA P10253 1/20 0.48
ATM Q13315 1/20 0.47
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PKM P14618 1/20 0.45
ADORA2B P29275 1/20 0.44
PTPN7 P35236 1/20 0.44
CYP1A2 P05177 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL17595049 0.78 L3MBTL1 (0.59) L3MBTL1KDM4EPOLBMAPTSMN1; SMN2
SCHEMBL3476583 0.77 L3MBTL1 (0.52) L3MBTL1KDM4EPOLBMAPTSMN1; SMN2
SCHEMBL24199937 0.76 ERN1 (0.44) L3MBTL1KDM4EPOLBMAPTHPGD
SCHEMBL19194844 0.76 L3MBTL1 (0.54) L3MBTL1KDM4EPOLBMAPTSMN1; SMN2
SCHEMBL2108554 0.76 L3MBTL1 (0.51) L3MBTL1KDM4EPOLBMAPTSMN1; SMN2
SCHEMBL14720808 0.74 L3MBTL1 (0.41) L3MBTL1KDM4EPOLBMAPTSMN1; SMN2
SCHEMBL10727393 0.74 ALDH1A1 (0.49) L3MBTL1KDM4EPOLBMAPTNPC1
SCHEMBL28987812 0.72 SMN1; SMN2 (0.66) L3MBTL1KDM4EMAPTNPC1RAB9A
SCHEMBL10505941 0.72 SMN1; SMN2 (0.52) L3MBTL1KDM4EPOLBMAPTSMN1; SMN2
SCHEMBL1645027 0.71 ALDH1A1 (0.54) L3MBTL1KDM4EPOLBMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658282-B1 NOVEL CHELATING AGENTS AND CHELATES AND THEIR USE WALLAC OY (FI) 2010-10-27 EP disclosed
EP-1658282-A1 NOVEL CHELATING AGENTS AND CHELATES AND THEIR USE WALLAC OY (FI) 2006-05-24 EP disclosed
US-20050084451-A1 Novel chelating agents and chelates and their use WALLAC OY 2005-04-21 US disclosed
WO-2005021538-A1 NOVEL CHELATING AGENTS AND CHELATES AND THEIR USE WALLAC OY (FI) 2005-03-10 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-20050084451-A1 Novel chelating agents and chelates and their use DNPEP, CNBP, CLTA L3MBTL1 1735/4885KDM4E 2934/4885POLB 360/4885

“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.