SCHEMBL25827943

SCHEMBL25827943

CCCCOCCOCCOCCOCC(=O)C(C)S

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.44
TSHR P16473 3/20 0.42
CYP3A4 P08684 1/20 0.41
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RARB P10826 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.34
RECQL P46063 1/20 0.34
PLA2G4B P0C869 2/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL26406112 0.85 CES2 (0.47) CES2TSHRCYP3A4MAPTMEN1
SCHEMBL21106219 0.85 CES2 (0.47) CES2TSHRCYP3A4MAPTMEN1
SCHEMBL22006328 0.81 MEN1 (0.36) CES2TSHRMAPTMEN1KMT2A
SCHEMBL22525823 0.80 CES2 (0.50) CES2TSHRCYP3A4MAPTHSD17B10
SCHEMBL21026077 0.80 MEN1 (0.35) MEN1KMT2AALDH1A1
SCHEMBL20325879 0.80 MEN1 (0.35) CES2TSHRMAPTMEN1KMT2A
SCHEMBL25881773 0.79 CES2 (0.55) CES2TSHRCYP3A4MAPTMEN1
SCHEMBL20326081 0.78
SCHEMBL21898996 0.76 MEN1 (0.42) MEN1KMT2A
SCHEMBL22374671 0.76 KDM4E (0.38) MEN1KMT2AALDH1A1

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-20230219945-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-13 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-20230219945-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CES2 1669/4885TSHR 3319/4885CYP3A4 2542/4885

“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.