SCHEMBL1726035

SCHEMBL1726035

CCOC(=O)c1sc(C(=O)OCC)c(O)c1O.[NaH].[NaH]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
KMT2A Q03164 2/20 0.55
HSD17B10 Q99714 1/20 0.55
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MC4R P32245 1/20 0.50
ALDH1A1 P00352 6/20 0.49
CYP1A2 P05177 1/20 0.49
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GSK3B P49841 1/20 0.47
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TRPM8 Q7Z2W7 2/20 0.45
CDC7 O00311 2/20 0.45
DBF4 Q9UBU7 2/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL1141274 0.98 GAA (0.56) GAAKMT2AHSD17B10MAPTNPC1
Potassium SCHEMBL7063916 0.96 GAA (0.55) GAAKMT2AHSD17B10MAPTNPC1
Lithium SCHEMBL7065338 0.96 GAA (0.55) GAAKMT2AHSD17B10MAPTNPC1
SCHEMBL14650156 0.90 ALDH1A1 (0.51) GAAKMT2AHSD17B10MAPTNPC1
SCHEMBL6206616 0.90 ALDH1A1 (0.54) GAAKMT2AHSD17B10MAPTNPC1
SCHEMBL13359464 0.88 GAA (0.49) GAAKMT2AHSD17B10MAPTNPC1
SCHEMBL10925924 0.88 MAPT (0.56) GAAKMT2AHSD17B10MAPTNPC1
Protiofate SCHEMBL871311 0.81 MAPT (0.50) GAAKMT2AHSD17B10MAPTALDH1A1
SCHEMBL11099233 0.80 ALDH1A1 (0.48) GAAKMT2AHSD17B10MAPTNPC1
SCHEMBL15210472 0.80 MAPT (0.61) GAAKMT2AHSD17B10MAPTNPC1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6608164-B2 Diaryl carbonate reacted with dihydroxy aromatic compounds in the presence of a transesterification catalyst; furan diol derivative is dimethyl 3,4-dihydroxy-2,5-furandiacarboxylate disodium salt GENERAL ELECTRIC COMPANY 2003-08-19 US claimed
US-20030114633-A1 Salts of heterocyclic diols as catalysts for melt polycarbonate GENERAL ELECTRIC COMPANY 2003-06-19 US claimed
EP-3246329-B1 METHOD FOR THE PREPARATION OF A MONOMER BASED ON THIOPHENE OF FORMULA (2,3-DIHYDROTHIENO [3,4-B][1,4]DIOXIN-2-YL)METHANOL AND THE MONOMER PREPARED IN THIS MANNER CENTRUM ORGANICKE CHEMIE S R O (CZ) 2018-05-09 EP disclosed
EP-3246329-A1 METHOD FOR THE PREPARATION OF A MONOMER BASED ON THIOPHENE OF FORMULA (2,3-DIHYDROTHIENO [3,4-B][1,4]DIOXIN-2-YL)METHANOL AND THE MONOMER PREPARED IN THIS MANNER Centrum organické chemie s.r.o. (CZ) 2017-11-22 EP disclosed
CN-104497006-A Preparation method for 3,4-ethylenedioxythiophene CHEER FINE PHARMACEUTICAL ANHUI CO LTD 2015-04-08 CN disclosed
EP-1209531-B1 Toner compositions comprising vinyl resin and poly (3,4-ethylenedioxythiophene) XEROX CORP (US) 2012-01-11 EP disclosed
US-7708908-B2 Carboxylic acid-modified EDOT for bioconjugation THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-05-04 US disclosed
WO-2008140159-A1 PROCESS FOR PREPARING ORGANIC SILICON MONOMER SEHYUN C.M.T. CO., LTD. (KR) 2008-11-20 WO disclosed
US-20080224099-A1 CARBOXYLIC ACID-MODIFIED EDOT FOR BIOCONJUGATION THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2008-09-18 US disclosed
WO-2008106194-A1 CARBOXYLIC ACID-MODIFIED EDOT FOR BIOCONJUGATION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-09-04 WO disclosed
EP-1209532-B1 Toner compositions comprising polythiophenes XEROX CORP (US) 2006-11-15 EP disclosed
US-6569591-B2 Generating electrostatic latent image on imaging member, developing by contacting with charged toner particles comprising resin and optional colorant and coated with polythiophene XEROX CORPORATION 2003-05-27 US disclosed
US-20030059702-A1 Toner compositions comprising polythiophenes XEROX CORPORATION 2003-03-27 US disclosed
US-6503678-B1 Toner particles having coated thereon a polythiophene doped with anions such as benzene sulfonate XEROX CORPORATION 2003-01-07 US disclosed
US-6439711-B1 Ballistic aerosol marking process employing marking material comprising polyester resin and poly (3,4-ethylenedioxythiophene) XEROX CORPORATION 2002-08-27 US disclosed
EP-1209533-A2 Process for controlling triboelectric charging Xerox Corporation (US) 2002-05-29 EP disclosed
EP-1209532-A2 Toner compositions comprising polythiophenes Xerox Corporation (US) 2002-05-29 EP disclosed
EP-1209531-A1 Toner compositions comprising vinyl resin and poly (3,4-ethylenedioxythiophene) Xerox Corporation (US) 2002-05-29 EP disclosed
US-6383561-B1 TONER PARTICLES PREPARED BY EMULSION AGGREGATION FORM PROPELLANT STREAM; INK JET PRINTING XEROX CORPORATION 2002-05-07 US disclosed
US-6365318-B1 OXIDATIVE POLYMERIZATION OF PYRROLE OR THIOPHENE MONOMERS IN DISPERSION WITH TONER PARTICLES; SUBSEQUENT CHARGING TO NEGATIVE OR POSITIVE POLARITY XEROX CORPORATION 2002-04-02 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 (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-20080224099-A1 CARBOXYLIC ACID-MODIFIED EDOT FOR BIOCONJUGATION BCAT1, SLC27A1, ACP1 GAA 3224/4885KMT2A 2505/4885HSD17B10 548/4885

“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.