SCHEMBL23945844

SCHEMBL23945844

CCC(CCC(C)C)CNC(C)C

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 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
SCHEMBL25062111 0.87 TSHR (0.30) TSHR
SCHEMBL24199120 0.83 ALDH1A1 (0.44) ALDH1A1CYP3A4TSHR
SCHEMBL21788081 0.82 TSHR (0.35) ALDH1A1CYP3A4TSHR
SCHEMBL104741 0.82 TSHR (0.35) ALDH1A1CYP3A4TSHR
SCHEMBL3838045 0.79 TSHR (0.64) ALDH1A1CYP3A4TSHR
SCHEMBL17298943 0.78 ALDH1A1 (0.30) ALDH1A1CYP3A4TSHR
SCHEMBL16264337 0.78 ALDH1A1 (0.39) ALDH1A1CYP3A4TSHR
SCHEMBL598867 0.76 TRPM8 (0.36) ALDH1A1CYP3A4TSHR
SCHEMBL19970035 0.73
SCHEMBL21788095 0.73 ADRB2 (0.36) ALDH1A1CYP3A4TSHR

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-11352350-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-06-07 US disclosed
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2021-10-21 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-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885CYP3A4 2542/4885TSHR 3319/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885CYP3A4 2542/4885TSHR 3319/4885

“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.