SCHEMBL23696604

SCHEMBL23696604

CCC(CN)CCCC(C)CC(C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 1/20 0.36
CACNA2D1 P54289 2/20 0.35
CACNB3 P54284 1/20 0.35
CACNA1C Q13936 1/20 0.35
PGR P06401 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA2D2 Q9NY47 1/20 0.35
CYP3A4 P08684 2/20 0.32
TSHR P16473 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
SCHEMBL21098782 0.85 ALDH1A1 (0.62) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL22203223 0.85 ALDH1A1 (0.62) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL13679347 0.83 LMNA (0.46) ALDH1A1TDP1LMNACACNA2D1CACNB3
SCHEMBL20460829 0.83 ALDH1A1 (0.60) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL20124078 0.82 ALDH1A1 (0.65) ALDH1A1TDP1LMNACACNA2D1CACNB3
SCHEMBL21093304 0.81 ALDH1A1 (0.64) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL20673516 0.80 ALDH1A1 (0.62) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL23530054 0.80 ALDH1A1 (0.62) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL17613188 0.79 ALDH1A1 (0.75) ALDH1A1TDP1CYP3A4TSHR
SCHEMBL29068750 0.79 LMNA (0.36) ALDH1A1TDP1LMNACYP3A4TSHR

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-20210228562-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2021-07-29 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-20210228562-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885TDP1 236/4885LMNA 1656/4885

“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.