SCHEMBL842355

SCHEMBL842355

CCOC(=O)c1cc(-c2c(OC)cc(OC)cc2OC)cc(CBr)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.42
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CNR2 P34972 2/20 0.39
HPGD P15428 3/20 0.39
THRB P10828 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTT P42858 1/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
HSP90AA1 P07900 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37

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
SCHEMBL842262 0.89 GAA (0.41) DPP4GAAPOLBALDH1A1CNR2
SCHEMBL841990 0.89 CYP1A2 (0.47) DPP4GAAPOLBALDH1A1CNR2
SCHEMBL5748574 0.85 MCL1 (0.41) ALDH1A1CNR2HPGDCYP3A4CYP1A2
SCHEMBL842177 0.84 ALDH1A1 (0.41) DPP4GAAPOLBALDH1A1HPGD
SCHEMBL862383 0.75 CYP1A2 (0.49) GAAPOLBALDH1A1HPGDCYP1A2
SCHEMBL5226239 0.74 CYP1A2 (0.59) GAAPOLBALDH1A1HPGDCYP3A4
SCHEMBL842312 0.74 MTNR1A (0.37)
SCHEMBL3688273 0.74 MAPT (0.44) GAAALDH1A1HPGDHTTCYP1A2
SCHEMBL22854579 0.74 ALDH1A1 (0.50) GAAPOLBALDH1A1HPGDHTT
SCHEMBL5738697 0.74 LMNA (0.42) ALDH1A1CNR2HPGDCYP3A4CYP1A2

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-1694672-B1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2012-06-20 EP disclosed
US-8143057-B2 Chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2012-03-27 US disclosed
US-8071626-B2 Chromophoric moiety comprises trialkoxyphenylpyridyl groups; biochemical conjugation; for solid phase synthesis of oligonucleotides and oligopeptides; magnetic resonance imaging; positron emission tomography WALLAC OY (FI) 2011-12-06 US disclosed
US-20100036102-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2010-02-11 US disclosed
US-7625930-B2 Chelating agents and highly luminescent and stable chelates and their use WALLOC OY (FI) 2009-12-01 US disclosed
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2008-07-10 US disclosed
US-20070286810-A1 Nanoparticles comprising lanthanide chelates WALLAC OY (FI) 2007-12-13 US disclosed
US-20050181393-A1 Novel chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2005-08-18 US 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 (4 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-20100036102-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE CLTA, CLTC, FOLH1 DPP4 828/4885GAA 371/4885POLB 380/4885
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 DPP4 828/4885GAA 371/4885POLB 380/4885
US-20070286810-A1 Nanoparticles comprising lanthanide chelates CLTA, LASP1, L3MBTL3 DPP4 4498/4885GAA 374/4885POLB 2853/4885
US-20050181393-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 DPP4 828/4885GAA 371/4885POLB 380/4885

“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.