SCHEMBL5209049

SCHEMBL5209049

C=CC(=O)OCC1CSC(COC(=O)C=C)S1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.36
ALDH1A1 P00352 4/20 0.36
TP53 P04637 3/20 0.36
HIF1A Q16665 3/20 0.36
CYP3A4 P08684 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL14409303 1.00 TSHR (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5209736 0.89 TSHR (0.37) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5204936 0.89 TSHR (0.37) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5210025 0.88 TSHR (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5206624 0.86 TSHR (0.32) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL636854 0.86
SCHEMBL5205497 0.85 TSHR (0.31) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5206839 0.85 TSHR (0.31) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5208412 0.84 THRB (0.33) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5210433 0.84 TSHR (0.30) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1388540-B1 ACRYLIC ESTERS AND USE THEREOF MITSUI CHEMICALS INC (JP) 2007-09-05 EP disclosed
US-6835844-B2 Acrylic esters and use thereof MITSUI CHEMICALS, INC. (JP) 2004-12-28 US disclosed
US-20040102592-A1 Acrylic esters and use thereof MITSUI CHEMICALS, INC. (JP) 2004-05-27 US disclosed
EP-1388540-A1 ACRYLIC ESTERS AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2004-02-11 EP 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-20040102592-A1 Acrylic esters and use thereof RPS4Y1, EPB41, RPS4X TSHR 4398/4885ALDH1A1 848/4885TP53 4371/4885

“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.