SCHEMBL23945332

SCHEMBL23945332

SN1CCc2ccccccccc2C12COC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
SIGMAR1 Q99720 11/20 0.35
TP53 P04637 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
DRD2 P14416 2/20 0.33
NFKB1 P19838 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
MTOR P42345 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL12021583 0.63 MAOA (0.47) SIGMAR1MAPK1DRD2HTR2AHTR2C
SCHEMBL17768473 0.63 SIGMAR1 (0.48) SIGMAR1
SCHEMBL27289977 0.61 SIGMAR1 (0.43) ALDH1A1SIGMAR1TP53CYP1A2CYP3A4
SCHEMBL27272517 0.61 ALDH1A1 (0.38) ALDH1A1SIGMAR1TP53CYP1A2CYP3A4
SCHEMBL10968507 0.60 MAOA (0.52) ALDH1A1SIGMAR1TP53CYP2D6TSHR
SCHEMBL12701643 0.60 HTR2A (0.47) ALDH1A1SIGMAR1TP53MAPK1DRD2
SCHEMBL11772061 0.60 HTR2A (0.42) SIGMAR1TSHRMAPK1HTR2ASMN1; SMN2
SCHEMBL17014512 0.59 SIGMAR1 (0.44) ALDH1A1SIGMAR1TP53MAPK1SMN1; SMN2
SCHEMBL8525497 0.58 MEN1 (0.40) ALDH1A1SIGMAR1TP53CYP1A2CYP3A4
SCHEMBL23385699 0.58 SIGMAR1 (0.44) ALDH1A1SIGMAR1TP53MAPK1SMN1; SMN2

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 2776/4885SIGMAR1 3199/4885TP53 1474/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885SIGMAR1 3199/4885TP53 1474/4885

“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.