SCHEMBL10005502

SCHEMBL10005502

C=CC(=O)OCCNC(=O)OCC(CC)(COC(=O)NCCOC(=O)C=C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.46
TSHR P16473 6/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 4/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
CYP3A4 P08684 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ACHE P22303 8/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL10005501 0.95 THRB (0.43) THRBTSHRHPGDALDH1A1TP53
SCHEMBL10005503 0.94 THRB (0.41) THRBTSHRHPGDALDH1A1TP53
SCHEMBL13415076 0.88 THRB (0.44) THRBTSHRHPGDALDH1A1TP53
SCHEMBL23975544 0.84 THRB (0.60) THRBTSHRHPGDALDH1A1TP53
SCHEMBL16546274 0.83 THRB (0.48) THRBTSHRHPGDALDH1A1TP53
SCHEMBL24821538 0.82 ALDH1A1 (0.50) THRBTSHRHPGDALDH1A1TP53
SCHEMBL17770846 0.81 THRB (0.44) THRBTSHRHPGDALDH1A1TP53
SCHEMBL6251603 0.81 THRB (0.44) THRBTSHRHPGDALDH1A1TP53
SCHEMBL23741915 0.81 ALDH1A1 (0.53) THRBTSHRHPGDALDH1A1TP53
SCHEMBL14368846 0.81 THRB (0.41) THRBTSHRALDH1A1ACHESMN1; SMN2

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
US-20190023921-A1 AQUEOUS DISPERSION, METHOD FOR MANUFACTURING THE SAME, AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2019-01-24 US disclosed
US-20150059605-A1 RESIN COMPOSITION FOR LASER ENGRAVING, FLEXOGRAPHIC PRINTING PLATE PRECURSOR FOR LASER ENGRAVING AND PROCESS FOR PRODUCING SAME, AND FLEXOGRAPHIC PRINTING PLATE AND PROCESS FOR MAKING SAME FUJIFILM CORPORATION (JP) 2015-03-05 US disclosed
US-20120016050-A1 Monoisocyanate-Acrylate Monomers and Products Ulitilizing the Same LEON JOSEPH A (US) 2012-01-19 US disclosed
US-20120016050-A1 Monoisocyanate-Acrylate Monomers and Products Ulitilizing the Same LEON JOSEPH A (US) 2012-01-19 US disclosed
WO-2010074763-A1 MONOISOCYANATE-ACRYLATE MONOMERS AND PRODUCTS UTILIZING THE SAME BOMAR SPECIALTIES COMPANY (US) 2010-07-01 WO 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-20120016050-A1 Monoisocyanate-Acrylate Monomers and Products Ulitilizing the Same DOHH, ESD, DACH1 THRB 2957/4885TSHR 3171/4885HPGD 1235/4885

“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.