SCHEMBL22802803

SCHEMBL22802803

CCCCN1CCO[C@H](COCC(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
PDK1 Q15118 3/20 0.39
EPHA2 P29317 5/20 0.36
ERBB2 P04626 1/20 0.36
HRH3 Q9Y5N1 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR4 Q13639 1/20 0.35
DRD4 P21917 4/20 0.34
KDR P35968 4/20 0.34
EPHB4 P54760 4/20 0.34
TDP1 Q9NUW8 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
SCHEMBL22802807 1.00 ALDH1A1 (0.41) ALDH1A1PDK1EPHA2ERBB2HRH3
SCHEMBL24508708 1.00 ALDH1A1 (0.41) ALDH1A1PDK1EPHA2ERBB2HRH3
SCHEMBL25883265 0.96 ALDH1A1 (0.40) ALDH1A1PDK1EPHA2ERBB2HRH3
SCHEMBL24379939 0.96 ALDH1A1 (0.40) ALDH1A1PDK1EPHA2ERBB2HRH3
SCHEMBL21106060 0.90 PDK1 (0.36) ALDH1A1PDK1HRH3DRD4
SCHEMBL21107633 0.90 PDK1 (0.36) ALDH1A1PDK1HRH3DRD4
SCHEMBL22856298 0.90 PDK1 (0.36) ALDH1A1PDK1HRH3DRD4
SCHEMBL21107634 0.88 ALDH1A1 (0.36) ALDH1A1PDK1EPHA2HRH3DRD4
SCHEMBL23567937 0.88 PDK1 (0.35) ALDH1A1PDK1HRH3DRD4
SCHEMBL24508737 0.88 PDK1 (0.43) ALDH1A1PDK1EPHA2ERBB2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11707457-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-07-25 US disclosed
WO-2021127278-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021011868-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-01-21 WO disclosed
WO-2020251969-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 WO 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-11707457-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885PDK1 504/4885EPHA2 780/4885

“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.