SCHEMBL23493554

SCHEMBL23493554

C=CC(=O)OCCC(CC)(CC)CCS(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.53
TSHR P16473 7/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 4/20 0.41
TP53 P04637 3/20 0.41
HIF1A Q16665 3/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL13160476 0.84 THRB (0.66) THRBTSHRHPGDALDH1A1TP53
SCHEMBL28353967 0.82 THRB (0.60) THRBTSHRHPGDALDH1A1TP53
SCHEMBL14665703 0.79 THRB (0.65) THRBTSHRHPGDALDH1A1TP53
SCHEMBL15277473 0.79 THRB (0.65) THRBTSHRHPGDALDH1A1TP53
SCHEMBL16327 0.76 TSHR (0.56) THRBTSHRHPGDALDH1A1TP53
SCHEMBL16939126 0.76 TSHR (0.60) THRBTSHRHPGDALDH1A1TP53
SCHEMBL4361549 0.76 TSHR (0.56) THRBTSHRHPGDALDH1A1TP53
SCHEMBL5053935 0.75 TSHR (0.54) THRBTSHRHPGDALDH1A1TP53
SCHEMBL8861475 0.75 TSHR (0.54) THRBTSHRHPGDALDH1A1TP53
SCHEMBL8861451 0.75 TSHR (0.54) THRBTSHRHPGDALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11246848-B2 Three-dimensional cage-like hyperbranched monomer, and preparation method and application thereof YANGTZE UNIVERSITY (CN) 2022-02-15 US disclosed
US-20210177791-A1 THREE-DIMENSIONAL CAGE-LIKE HYPERBRANCHED MONOMER, AND PREPARATION METHOD AND APPLICATION THEREOF YANGTZE UNIVERSITY (CN) 2021-06-17 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 (2 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-11246848-B2 Three-dimensional cage-like hyperbranched monomer, and preparation method and application thereof YWHAH, YWHAB, YAP1 THRB 3418/4885TSHR 3863/4885HPGD 1282/4885
US-20210177791-A1 THREE-DIMENSIONAL CAGE-LIKE HYPERBRANCHED MONOMER, AND PREPARATION METHOD AND APPLICATION THEREOF YWHAH, HDHD5, YWHAB THRB 3517/4885TSHR 3827/4885HPGD 924/4885

“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.