SCHEMBL23046558

SCHEMBL23046558

C#CCS(=O)(=O)NCCOCCCOCCO

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31
KCNH3 Q9ULD8 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
SCHEMBL8574248 0.73 TSHR (0.42) ALDH1A1TSHRHPGDMAPK1MEN1
SCHEMBL24670869 0.68 TSHR (0.36) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL8612225 0.67 TSHR (0.43) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL14099491 0.67 EPHX2 (0.35) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL23210 0.65 TSHR (0.77) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL651261 0.65 TSHR (0.77) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL13913112 0.64
SCHEMBL13056648 0.63 EPHX2 (0.48) ALDH1A1TSHRHPGDMAPK1MEN1
Triethylene Glycol SCHEMBL28729900 0.63 MEN1 (0.42) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL8404635 0.63 GRIA1 (0.50) ALDH1A1TSHRMAPK1MEN1KMT2A

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-10934264-B2 Amyloid targeting agents and methods of using the same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-03-02 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-10934264-B2 Amyloid targeting agents and methods of using the same APP, CRYAA, APBA1 ALDH1A1 4151/4885TSHR 4142/4885HPGD 4282/4885

“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.