SCHEMBL23808024

SCHEMBL23808024

O=C(OC[C@H]1OC[C@@H](O)CO1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA5 P30532 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
NPC1 O15118 1/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
HIF1A Q16665 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
PPM1B O75688 1/20 0.43
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL21998228 1.00 TDP1 (0.46) TDP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL172378 0.87 TDP1 (0.52) TDP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL21997201 0.82 CHRNB2 (0.42) TDP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL23808026 0.82 CHRNB2 (0.42) TDP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL7198226 0.82 NPC1 (0.52) TDP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL7195220 0.82 NPC1 (0.52) TDP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL7195218 0.82 NPC1 (0.52) TDP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL5214193 0.81 PPM1B (0.43) TDP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL14462223 0.81 MAPK1 (0.44) TDP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL5214165 0.81 PPM1B (0.43) TDP1CHRNB2CHRNA5CHRNA7CHRNA4

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-11807636-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-11-07 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
US-11117889-B1 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2021-09-14 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 (4 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-11117889-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 TDP1 236/4885CHRNB2 4503/4885CHRNA5 4509/4885
US-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 TDP1 236/4885CHRNB2 4503/4885CHRNA5 4509/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 TDP1 236/4885CHRNB2 4503/4885CHRNA5 4509/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 TDP1 236/4885CHRNB2 4503/4885CHRNA5 4509/4885

“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.