SCHEMBL3008936

SCHEMBL3008936

COC(=O)C(CCCCCCOc1ccc([N+](=O)[O-])cc1)C(=O)OC

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.79
L3MBTL1 Q9Y468 2/20 0.79
CRHBP P24387 1/20 0.77
CRHR2 Q13324 1/20 0.77
ALDH1A1 P00352 1/20 0.52
ACHE P22303 1/20 0.50
SLC6A4 P31645 1/20 0.50
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
KCNH2 Q12809 1/20 0.48
PTGS2 P35354 1/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL7639051 0.92 MAPT (0.70) MAPTL3MBTL1CRHBPCRHR2ALDH1A1
SCHEMBL7425467 0.83 MAPT (0.92) MAPTL3MBTL1CRHBPCRHR2ALDH1A1
SCHEMBL11016123 0.82 MAPT (0.68) MAPTL3MBTL1CRHBPCRHR2ALDH1A1
SCHEMBL7640823 0.81 MAPT (0.88) MAPTL3MBTL1CRHBPCRHR2ALDH1A1
SCHEMBL7641170 0.81 MAPT (0.58) MAPTL3MBTL1CRHBPCRHR2ALDH1A1
SCHEMBL8117366 0.80 MAPT (0.65) MAPTL3MBTL1CRHBPCRHR2ALDH1A1
SCHEMBL7640310 0.80 MAPT (0.67) MAPTL3MBTL1CRHBPCRHR2ALDH1A1
SCHEMBL21301764 0.80 MAPT (0.56) MAPTL3MBTL1CRHBPCRHR2ALDH1A1
SCHEMBL18689537 0.80 PTGS2 (0.58) MAPTL3MBTL1CRHBPCRHR2ALDH1A1
SCHEMBL831490 0.80 PTGS2 (0.58) MAPTL3MBTL1CRHBPCRHR2ALDH1A1

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
EP-2195310-B1 LUMINESCENT LANTHANIDE (III) CHELATES, CHELATING AGENTS AND CONJUGATES DERIVED THEREOF WALLAC OY (FI) 2016-06-01 EP disclosed
CN-101796047-B Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof WALLAC OY 2014-12-03 CN disclosed
US-8221719-B2 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof WALLAC OY (FI) 2012-07-17 US disclosed
US-20100204442-A1 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof WALLAC OY (FI) 2010-08-12 US disclosed
US-20100204442-A1 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof WALLAC OY (FI) 2010-08-12 US disclosed
CN-101796047-A luminescent lanthanide (iii) chelates, chelating agents and conjugates derived thereof WALLAC OY 2010-08-04 CN disclosed
EP-2195310-A1 LUMINESCENT LANTHANIDE (III) CHELATES, CHELATING AGENTS AND CONJUGATES DERIVED THEREOF Wallac OY (FI) 2010-06-16 EP disclosed
WO-2009030819-A1 LUMINESCENT LANTHANIDE (III) CHELATES, CHELATING AGENTS AND CONJUGATES DERIVED THEREOF WALLAC OY (FI) 2009-03-12 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-20100204442-A1 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof LNPEP, SLC39A3, LAP3 MAPT 2629/4885L3MBTL1 23/4885CRHBP 1144/4885

“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.