SCHEMBL841990

SCHEMBL841990

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.45
CNR2 P34972 2/20 0.45
HPGD P15428 3/20 0.44
DPP4 P27487 2/20 0.44
CYP3A4 P08684 1/20 0.44
HTT P42858 1/20 0.43
MAPT P10636 3/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HSP90AA1 P07900 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B2 P37059 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TARBP2 Q15633 1/20 0.41
PDCD4 Q53EL6 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
SCHEMBL842262 0.90 GAA (0.41) CYP1A2GAAPOLBALDH1A1CNR2
SCHEMBL842355 0.89 DPP4 (0.42) CYP1A2GAAPOLBALDH1A1CNR2
SCHEMBL842177 0.85 ALDH1A1 (0.41) GAAPOLBALDH1A1HPGDDPP4
SCHEMBL5226239 0.85 CYP1A2 (0.59) CYP1A2GAAPOLBALDH1A1HPGD
SCHEMBL10387678 0.80 LMNA (0.49) CYP1A2ALDH1A1CNR2HPGDCYP3A4
SCHEMBL17594918 0.80 TUBB4A (0.43) CYP1A2GAAALDH1A1CNR2HPGD
SCHEMBL17595087 0.79 GAA (0.59) CYP1A2GAAPOLBALDH1A1HPGD
SCHEMBL30020619 0.76 HPGD (0.53) CYP1A2GAAPOLBALDH1A1HPGD
SCHEMBL8924145 0.75 CYP1A2 (0.49) CYP1A2GAAPOLBALDH1A1HPGD
SCHEMBL12581547 0.75 NPC1 (0.56) POLBALDH1A1HPGDMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191451-B1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME OKINAWA INST SCIENCE & TECH SCHOOL CORP (JP) 2019-06-05 EP claimed
US-20170217889-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2017-08-03 US claimed
EP-3191451-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME Okinawa Institute of Science and Technology School Corporation (JP) 2017-07-19 EP claimed
WO-2016038890-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2016-03-17 WO claimed
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
EP-1694672-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2006-08-30 EP disclosed
US-20050181393-A1 Novel chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2005-08-18 US disclosed
WO-2005058877-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2005-06-30 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 (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 CYP1A2 4875/4885GAA 371/4885POLB 380/4885
US-20170217889-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME PDK2, PKD1, PDHA2 CYP1A2 137/4885GAA 1601/4885POLB 1894/4885
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 CYP1A2 4875/4885GAA 371/4885POLB 380/4885
US-20050181393-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 CYP1A2 4875/4885GAA 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.