SCHEMBL3016916

SCHEMBL3016916

CCOC(=O)c1cc(-c2cc(C(=O)OC)co2)cc(CBr)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
NLRP3 Q96P20 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 4/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDR P35968 1/20 0.35
HTT P42858 2/20 0.34
KMT2A Q03164 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 3/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL3004832 0.90 CYP1A2 (0.37) CYP1A2NLRP3KDM4EALDH1A1CHRM2
SCHEMBL3693210 0.85 CHRM2 (0.39) NLRP3KDM4EALDH1A1CHRM2CHRM4
SCHEMBL3123162 0.81 ALDH1A1 (0.41) CYP1A2KDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL3022329 0.80 CHRM3 (0.37) NLRP3KDM4ECHRM2CHRM4CHRM5
SCHEMBL2108554 0.79 L3MBTL1 (0.51) CYP1A2KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL13132170 0.78 CYP1A2 (0.40) CYP1A2KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL3009328 0.78 NLRP3 (0.36) CYP1A2NLRP3KDM4EALDH1A1CHRM2
SCHEMBL3477651 0.77 ALDH1A1 (0.48) CYP1A2KDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL862383 0.73 CYP1A2 (0.49) CYP1A2KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL842355 0.72 DPP4 (0.42) CYP1A2KDM4EALDH1A1HTTNPC1

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 5 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
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
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 CYP1A2 4884/4885NLRP3 3156/4885KDM4E 2737/4885

“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.