SCHEMBL862340

SCHEMBL862340

CCOC(=O)c1cc(C)cc(C(=O)OCC)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.66
MAPT P10636 4/20 0.51
KDM4E B2RXH2 3/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 5/20 0.51
MAPK1 P28482 1/20 0.51
S1PR2 O95136 1/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 2/20 0.46

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
SCHEMBL23997557 0.88 CYP1A2 (0.53) CYP1A2MAPTKDM4EPOLBALDH1A1
SCHEMBL1179355 0.87 S1PR2 (0.59) CYP1A2MAPTKDM4EPOLBALDH1A1
SCHEMBL31078581 0.87 S1PR2 (0.59) CYP1A2MAPTKDM4EPOLBALDH1A1
SCHEMBL13749721 0.87 CYP1A2 (0.51) CYP1A2MAPTKDM4EPOLBALDH1A1
SCHEMBL9128544 0.86 CYP1A2 (0.63) CYP1A2MAPTKDM4EPOLBALDH1A1
SCHEMBL113705 0.86 CYP1A2 (0.63) CYP1A2MAPTKDM4EPOLBALDH1A1
SCHEMBL16472392 0.86 CYP1A2 (0.63) CYP1A2MAPTKDM4EPOLBALDH1A1
SCHEMBL862162 0.86 CYP1A2 (0.50) CYP1A2MAPTKDM4EPOLBALDH1A1
SCHEMBL862383 0.84 CYP1A2 (0.49) CYP1A2MAPTKDM4EPOLBALDH1A1
SCHEMBL841568 0.84 CYP1A2 (0.61) CYP1A2MAPTKDM4EPOLBALDH1A1

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 11 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-2903078-B1 METAL COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, DYE SOLUTION, AND DYE-ADSORBED ELECTRODE FUJIFILM CORP (JP) 2017-10-25 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
EP-2386559-A1 Cytotoxiv agents comprising new tomaymycin derivatives and their therapeutic use SANOFI (FR) 2011-11-16 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 4875/4885MAPT 2705/4885KDM4E 3409/4885
US-20170217889-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME PDK2, PKD1, PDHA2 CYP1A2 137/4885MAPT 2292/4885KDM4E 750/4885
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 CYP1A2 4875/4885MAPT 2705/4885KDM4E 3409/4885

“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.