SCHEMBL9888985

SCHEMBL9888985

CCOCCOC(=O)COC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
TSHR P16473 2/20 0.56
THRB P10828 1/20 0.48
HSD17B10 Q99714 2/20 0.40
DGKA P23743 1/20 0.38
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
CA2 P00918 1/20 0.35
EPHX2 P34913 1/20 0.35
NAAA Q02083 1/20 0.33
TRPA1 O75762 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
SCHEMBL18470076 0.98 ALDH1A1 (0.54) ALDH1A1TSHRTHRBHSD17B10DGKA
SCHEMBL18470077 0.89 TSHR (0.39) ALDH1A1TSHRTHRBHSD17B10DGKA
SCHEMBL2610085 0.89 TSHR (0.39) ALDH1A1TSHRTHRBHSD17B10DGKA
SCHEMBL780053 0.86 ALDH1A1 (0.60) ALDH1A1TSHRTHRBHSD17B10DGKA
SCHEMBL29709224 0.86 ALDH1A1 (0.50) ALDH1A1TSHRTHRBHSD17B10DGKA
SCHEMBL16865885 0.85 DGKA (0.41) ALDH1A1TSHRTHRBHSD17B10DGKA
SCHEMBL13313904 0.84 TSHR (0.39) ALDH1A1TSHRTHRBHSD17B10DGKA
SCHEMBL17974553 0.84 ALDH1A1 (0.58) ALDH1A1TSHRTHRBHSD17B10DGKA
SCHEMBL25145000 0.83 TSHR (0.47) ALDH1A1TSHRTHRBHSD17B10DGKA
SCHEMBL9936944 0.83 ALDH1A1 (0.45) ALDH1A1TSHRTHRBHSD17B10DGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3692102-B1 HIGH WET FAST DISPERSE DYE MIXTURES DYSTAR COLOURS DISTRIB GMBH (DE) 2021-11-10 EP disclosed
EP-3461861-B1 HIGH WET FAST DISPERSE DYE MIXTURES DYSTAR COLOURS DISTRIB GMBH (DE) 2020-07-15 EP disclosed
US-9472813-B2 Battery electrolyte solution containing certain ester-based solvents, and batteries containing such an electrolyte solution DOW GLOBAL TECHNOLOGIES LLC (US) 2016-10-18 US disclosed
CN-103262329-B Battery electrolyte solution containing certain ester-based solvents and battery containing such electrolyte solution DOW GLOBAL TECHNOLOGIES LLC (US) 2016-02-10 CN disclosed
EP-2652832-A1 BATTERY ELECTROLYTE SOLUTION CONTAINING CERTAIN ESTER-BASED SOLVENTS, AND BATTERIES CONTAINING SUCH AN ELECTROLYTE SOLUTION Dow Global Technologies LLC (US) 2013-10-23 EP disclosed
US-20130260229-A1 BATTERY ELECTROLYTE SOLUTION CONTAINING CERTAIN ESTER-BASED SOLVENTS, AND BATTERIES CONTAINING SUCH AN ELECTROLYTE SOLUTION DOW GLOBAL TECHNOLOGIES LLC (US) 2013-10-03 US disclosed
CN-103262329-A Battery electrolyte solution containing certain ester-based solvents and battery containing such electrolyte solution DOW GLOBAL TECHNOLOGIES INC 2013-08-21 CN disclosed
US-8367282-B2 Compound or its tautomer, metal complex compound, colored photosensitive curing composition, color filter, and production FUJIFILM CORPORATION (JP) 2013-02-05 US disclosed
US-20120238752-A1 COMPOUND OR ITS TAUTOMER, METAL COMPLEX COMPOUND, COLORED PHOTOSENSITIVE CURING COMPOSITION, COLOR FILTER, AND PRODUCTION FUJIFILM CORPORATION (JP) 2012-09-20 US disclosed
WO-2012082760-A1 BATTERY ELECTROLYTE SOLUTION CONTAINING CERTAIN ESTER-BASED SOLVENTS, AND BATTERIES CONTAINING SUCH AN ELECTROLYTE SOLUTION DOW GLOBAL TECHNOLOGIES LLC (US) 2012-06-21 WO disclosed
US-8197994-B2 Colorant of a dipyrromethene-based metal complex obtained from a metal of iron, zinc, cobalt, copper or vanadium oxide and a dipyrromethene-based compound and a phthalocyanine dye FUJIFILM CORPORATION (JP) 2012-06-12 US disclosed
US-20120138877-A1 COMPOUND OR ITS TAUTOMER, METAL COMPLEX COMPOUND, COLORED PHOTOSENSITIVE CURING COMPOSITION, COLOR FILTER, AND PRODUCTION FUJIFILM CORPORATION (JP) 2012-06-07 US disclosed
US-20100230647-A1 COMPOUND OR ITS TAUTOMER, METAL COMPLEX COMPOUND, COLORED PHOTOSENSITIVE CURING COMPOSITION, COLOR FILTER, AND PRODUCTION FUJIFILM CORPORATION (JP) 2010-09-16 US disclosed
US-7521158-B2 Negative dye-containing curable composition, color filter and method of producing the same FUJIFILM CORPORATION (JP) 2009-04-21 US disclosed
US-7416591-B2 Disperse dye mixtures DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-08-26 US disclosed
US-20080022894-A1 Benzo[1,2-b;4,5-b']difuran-2,6-dione derivatives; anthraquinone and monoazo dyes; black shade; synthetic textile material or fiber blend thereof is a polyester, polyester-cellulose, polyester-nylon, polyesterurethane or polyester-wool blend; ink jet printing DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-01-31 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 (2 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-20120238752-A1 COMPOUND OR ITS TAUTOMER, METAL COMPLEX COMPOUND, COLORED PHOTOSENSITIVE CURING COMPOSITION, COLOR FILTER, AND PRODUCTION PBRM1, CRY1, MAPT ALDH1A1 1098/4885TSHR 1497/4885THRB 1980/4885
US-20100230647-A1 COMPOUND OR ITS TAUTOMER, METAL COMPLEX COMPOUND, COLORED PHOTOSENSITIVE CURING COMPOSITION, COLOR FILTER, AND PRODUCTION CRY1, IK, PRMT5 ALDH1A1 2769/4885TSHR 2074/4885THRB 3132/4885

“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.