SCHEMBL10044377

SCHEMBL10044377

CCOCCOCCSC(=O)CC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
THRB P10828 1/20 0.38
EPHX2 P34913 4/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL13639135 0.86 ALDH1A1 (0.35) ALDH1A1TSHREPHX2TDP1CYP1A2
SCHEMBL12023038 0.83 TSHR (0.46) ALDH1A1TSHRTHRBTDP1CYP1A2
SCHEMBL17599662 0.83 TDP1 (0.32) ALDH1A1TDP1CYP1A2CYP3A4CYP2D6
SCHEMBL5596714 0.82 TDP1 (0.31) TDP1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17613680 0.82 TDP1 (0.31) RAB9ATDP1CYP1A2CYP3A4CYP2D6
SCHEMBL17613625 0.81
SCHEMBL17613644 0.81 TDP1 (0.33) ALDH1A1TDP1
SCHEMBL17991048 0.80 THRB (0.37) TSHRTHRBCYP1A2CYP3A4CYP2D6
SCHEMBL5596366 0.79 TDP1 (0.32) ALDH1A1TDP1
SCHEMBL19543508 0.78 LPAR1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796336-B2 Methoxypolyethylene glycol chelate and uses thereof EASTERN VIRGINIA MEDICAL SCHOOL (US) 2014-08-05 US disclosed
US-20120016030-A1 METHOXYPOLYETHYLENE GLYCOL THIOESTER CHELATE AND USES THEREOF EASTERN VIRGINIA MEDICAL SCHOOL (US) 2012-01-19 US disclosed
US-8008347-B2 Methoxypolyethylene glycol thioester chelate and uses thereof EASTERN VIRGINIA MEDICAL SCHOOL (US) 2011-08-30 US disclosed
US-20090306205-A1 METHOXYPOLYETHYLENE GLYCOL THIOESTER CHELATE AND USES THEREOF EASTERN VIRGINIA MEDICAL SCHOOL (US) 2009-12-10 US disclosed
US-7388028-B2 Methoxypolyethylene glycol thioester chelate and uses thereof EASTERN VIRGINIA MEDICAL SCHOOL (US) 2008-06-17 US disclosed
US-20080039524-A1 Methoxypolyethylene glycol thioester chelate and uses thereof EASTERN VIRGINIA MEDICAL SCHOOL (US) 2008-02-14 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-20090306205-A1 METHOXYPOLYETHYLENE GLYCOL THIOESTER CHELATE AND USES THEREOF MGST3, MGMT, HAGH ALDH1A1 3018/4885TSHR 1062/4885THRB 2079/4885
US-20080039524-A1 Methoxypolyethylene glycol thioester chelate and uses thereof MGST3, MGMT, MBOAT1 ALDH1A1 3158/4885TSHR 1036/4885THRB 2087/4885
US-20120016030-A1 METHOXYPOLYETHYLENE GLYCOL THIOESTER CHELATE AND USES THEREOF MGST3, MGMT, MBOAT1 ALDH1A1 3158/4885TSHR 1036/4885THRB 2087/4885

“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.