SCHEMBL5575498

SCHEMBL5575498

C=CC(=O)OCC(C(=O)NC)=C(CO)CO

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.40
ALDH1A1 P00352 4/20 0.37
TP53 P04637 3/20 0.37
HIF1A Q16665 3/20 0.37
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.32

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
Acrylic Acid SCHEMBL5575501 0.75 LMNA (0.39) HSD17B10
SCHEMBL30999680 0.72 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL501796 0.71
SCHEMBL5576052 0.67 ALDH1A1 (0.36) TSHRALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1658732 0.66 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL15455067 0.65 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL272054 0.65
SCHEMBL27820832 0.65
Dimethylamine SCHEMBL27632529 0.65 TSHR (0.83) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL19821106 0.65 TSHR (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275046-A1 Noval Surfactants and Applications Thereof TS PHARMA (FR) 2007-11-29 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-20070275046-A1 Noval Surfactants and Applications Thereof SGMS1, SGMS2, ANXA6 TSHR 4562/4885ALDH1A1 3574/4885TP53 206/4885

“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.