SCHEMBL17501746

SCHEMBL17501746

CCOC(OC(=O)O)OC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.32
FFAR3 O14843 1/20 0.32
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31
PPARA Q07869 2/20 0.30
HCAR2 Q8TDS4 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
Acetic Acid SCHEMBL8454146 0.78 THRB (0.65) THRBLMNAALDH1A1HSD17B10FFAR3
SCHEMBL5484684 0.77
SCHEMBL1543387 0.77 THRB (0.42) THRBFFAR3MGAMGAASI
SCHEMBL15135759 0.75 LMNA (0.38) THRBLMNAALDH1A1
SCHEMBL15135938 0.75 THRB (0.33) THRBLMNAALDH1A1
SCHEMBL5515867 0.75 THRB (0.40) THRBALDH1A1SOAT1
SCHEMBL662137 0.74 THRB (0.50) THRBLMNAALDH1A1HSD17B10ALOX15
Butane SCHEMBL321302 0.73 THRB (0.39) THRBFFAR3MGAMGAASI
SCHEMBL2069867 0.73 THRB (0.43) THRBLMNASOAT1
SCHEMBL479387 0.72 THRB (0.37) THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160046588-A1 METHOD FOR OBTAINING SOLUTIONS OF OTA IN A CONCENTRATED SULFURIC ACID MEDIUM; SAID SOLUTIONS; AND METHOD FOR PREPARING ONTA ARIANEGROUP SAS (FR) 2016-02-18 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-20160046588-A1 METHOD FOR OBTAINING SOLUTIONS OF OTA IN A CONCENTRATED SULFURIC ACID MEDIUM; SAID SOLUTIONS; AND METHOD FOR PREPARING ONTA TST, OAT, SULT1A1 THRB 2449/4885LMNA 2629/4885ALDH1A1 861/4885

“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.