SCHEMBL30984098

SCHEMBL30984098

COc1ccc(N(C)CC2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.53
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
EPHX2 P34913 1/20 0.48
GPR119 Q8TDV5 7/20 0.48
TGFBR1 P36897 2/20 0.47
BACE1 P56817 1/20 0.46
HTT P42858 1/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
SLC2A1 P11166 1/20 0.44

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
SCHEMBL28978067 0.86 RXFP1 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL28610512 0.84 STS (0.56) STSALDH1A1MEN1KMT2AEPHX2
SCHEMBL28611806 0.80 STS (0.52) STSALDH1A1MEN1KMT2AEPHX2
SCHEMBL28622743 0.80 STS (0.52) STSALDH1A1MEN1KMT2AEPHX2
SCHEMBL21577602 0.79 STS (0.49) STSALDH1A1MEN1KMT2AEPHX2
SCHEMBL21577641 0.77 EPHX2 (0.57) STSALDH1A1MEN1KMT2AEPHX2
SCHEMBL23022525 0.76 EED (0.43) STSALDH1A1MEN1KMT2AEPHX2
SCHEMBL8602574 0.76 TGFBR1 (0.54) STSALDH1A1EPHX2GPR119TGFBR1
SCHEMBL21597765 0.75 EPHX2 (0.55) STSALDH1A1MEN1KMT2AEPHX2
SCHEMBL28607569 0.74 STS (0.45) STSALDH1A1MEN1KMT2AEPHX2

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-20240368194-A1 IRAK4 DEGRADATION AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF LEADINGTAC PHARMACEUTICAL (SHAOXING) CO., LTD. (CN) 2024-11-07 US disclosed
EP-4393922-A1 IRAK4 DEGRADATION AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Leadingtac Pharmaceutical Co. Ltd. (CN) 2024-07-03 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-20240368194-A1 IRAK4 DEGRADATION AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF IRAK4, IRAK2, IRAK1 STS 4429/4885ALDH1A1 2935/4885MEN1 3395/4885

“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.