SCHEMBL5310353

SCHEMBL5310353

COCCCOC(O)CCO

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL29207125 0.86 TSHR (0.33) ALDH1A1
SCHEMBL14403101 0.86 THRB (0.36) THRB
SCHEMBL28559553 0.82 ALDH1A1 (0.37) ALDH1A1
SCHEMBL8750324 0.81 THRB (0.39) THRB
SCHEMBL29396142 0.81 MEN1 (0.35) THRB
SCHEMBL5310350 0.81 ALDH1A1 (0.33) ALDH1A1
SCHEMBL1982323 0.80 TSHR (0.44) THRBALDH1A1
SCHEMBL10339404 0.78 USP2 (0.47) THRBALDH1A1
SCHEMBL17471828 0.78 SMPD1 (0.39)
SCHEMBL738846 0.77 TSHR (0.42) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411053-B1 METHOD FOR OBTAINING DERIVATIVES OF (PYRIDIL SUBSTITUTED)METHYL|THIO|BENZIMIDAZOL ESTEVE QUIMICA SA (ES) 2007-05-30 EP disclosed
EP-1411053-A1 METHOD FOR OBTAINING DERIVATIVES OF (PYRIDIL SUBSTITUTED)METHYL]THIO]BENZIMIDAZOL ESTEVE QUIMICA, S.A. (ES) 2004-04-21 EP disclosed
US-6723852-B2 REACTING AN N-OXIDE OF METHYLPYRIDINE COMPOUND WITH ANHYDRIDE OF AN ACTIVATED CARBOXYLIC ACID OR WITH ANHYDRIDE OF SULFONIC ACID IN SOLVENT; REACTING INTERMEDIATE WITH DERIVATIVE OF 2-MERCAPTOBENZOMIDAZOL ESTEVE QUIMICA, S.A. (ES) 2004-04-20 US disclosed
US-20030036656-A1 Method for obtaining derivatives of [ [(pyridil substituted)methyl]thio]benzomidazol ESTEVE QUIMICA, S.A. (ES) 2003-02-20 US disclosed
US-5288340-A Oxidation, coating with heat-hardenable resin DEGUSSA AKTIENGESELLSCHAFT (DE) 1994-02-22 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-20030036656-A1 Method for obtaining derivatives of [ [(pyridil substituted)methyl]thio]benzomidazol TPMT, CYP2C8, HRH2 THRB 2500/4885ALDH1A1 1020/4885

“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.