SCHEMBL8679165

SCHEMBL8679165

CCCCOCCOC(=O)OOC(=O)OCCOCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.43
ATM Q13315 1/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
DGKA P23743 1/20 0.42
CES2 O00748 2/20 0.41
HPGD P15428 1/20 0.41
ACHE P22303 1/20 0.41
RARB P10826 1/20 0.40
HCAR2 Q8TDS4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NAAA Q02083 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL10712206 0.92 TSHR (0.42) TSHRCYP3A4ALDH1A1MAPTATM
SCHEMBL9350594 0.91 TSHR (0.52) TSHRCYP3A4ALDH1A1MAPTATM
SCHEMBL302306 0.91 TSHR (0.52) TSHRCYP3A4ALDH1A1MAPTATM
SCHEMBL9462492 0.91 TSHR (0.52) TSHRCYP3A4ALDH1A1MAPTATM
SCHEMBL1469512 0.89 ALDH1A1 (0.54) TSHRCYP3A4ALDH1A1MAPTATM
SCHEMBL1470088 0.89 ALDH1A1 (0.54) TSHRCYP3A4ALDH1A1MAPTATM
SCHEMBL35879 0.86 ALDH1A1 (0.61) TSHRALDH1A1ATMDGKAHPGD
SCHEMBL8504051 0.85 ATM (0.40) TSHRCYP3A4ALDH1A1MAPTATM
SCHEMBL1470179 0.85 TSHR (0.54) TSHRCYP3A4ALDH1A1MAPTATM
SCHEMBL1128577 0.85 MAPT (0.47) TSHRCYP3A4ALDH1A1MAPTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170121280-A1 ORGANIC SOLVENT FOR PEROXIDES ARKEMA FRANCE (FR) 2017-05-04 US disclosed
US-5789499-A RETAINING EFFECT OF ANTIFOULING AGENT IN A COATED POLYMERIZATION REACTOR MITSUI CHEMICALS, INC. (JP) 1998-08-04 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-20170121280-A1 ORGANIC SOLVENT FOR PEROXIDES HAO2, GPX4, LPO TSHR 2748/4885CYP3A4 1315/4885ALDH1A1 662/4885

“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.