SCHEMBL23945935

SCHEMBL23945935

CCCCC(CC)CNCC(C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.69
ALDH1A1 P00352 4/20 0.69
CYP3A4 P08684 4/20 0.69
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
CA2 P00918 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 3/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
GLA P06280 1/20 0.35
CYP2D6 P10635 2/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL19861253 0.85 ALDH1A1 (0.50) TSHRALDH1A1CYP3A4KDM4ETDP1
SCHEMBL123557 0.83 TSHR (1.00) TSHRALDH1A1CYP3A4KDM4ETDP1
SCHEMBL13407590 0.83 ALDH1A1 (0.41) TSHRALDH1A1CYP3A4
SCHEMBL23611735 0.83 TSHR (1.00) TSHRALDH1A1CYP3A4KDM4ETDP1
SCHEMBL14365914 0.83 TSHR (1.00) TSHRALDH1A1CYP3A4KDM4ETDP1
SCHEMBL9936532 0.82 TSHR (0.60) TSHRALDH1A1CYP3A4KDM4ETDP1
Fluoride SCHEMBL635215 0.81 TSHR (0.95) TSHRALDH1A1CYP3A4KDM4ETDP1
Hydrochloric Acid SCHEMBL10525132 0.81 TSHR (0.95) TSHRALDH1A1CYP3A4KDM4ETDP1
SCHEMBL24467442 0.81 TSHR (0.95) TSHRALDH1A1CYP3A4KDM4ETDP1
Hydrochloric Acid SCHEMBL10525129 0.81 TSHR (0.95) TSHRALDH1A1CYP3A4KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230144292-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-11 US disclosed
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 (3 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 TSHR 3319/4885ALDH1A1 2776/4885CYP3A4 2542/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 TSHR 3319/4885ALDH1A1 2776/4885CYP3A4 2542/4885
US-20230144292-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 TSHR 3319/4885ALDH1A1 2776/4885CYP3A4 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.