SCHEMBL23945567

SCHEMBL23945567

CCCCCOCCCN(C)C(=O)CC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.44
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
NAAA Q02083 1/20 0.41
EPHX2 P34913 2/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.39
DNM1 Q05193 1/20 0.39
SPHK1 Q9NYA1 1/20 0.38
TSHR P16473 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
CNR1 P21554 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EPHX1 P07099 1/20 0.35

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
SCHEMBL12848670 0.87 TSHR (0.43) CES2MEN1THRBHTTKMT2A
SCHEMBL22856582 0.85 TSHR (0.42) CES2MEN1THRBHTTKMT2A
SCHEMBL12452054 0.85 TSHR (0.42) CES2MEN1THRBHTTKMT2A
SCHEMBL17624920 0.84 EPHX2 (0.50) CES2EPHX2DNM1SIGMAR1CNR1
SCHEMBL25602519 0.84 CYP1A2 (0.36)
SCHEMBL22848883 0.83 CES2 (0.50) CES2MEN1THRBHTTKMT2A
SCHEMBL8861106 0.82 EPHX2 (0.53) CES2EPHX2DNM1SIGMAR1CNR1
SCHEMBL2182224 0.82 EPHX2 (0.53) CES2EPHX2DNM1SIGMAR1CNR1
SCHEMBL17817233 0.82 EPHX2 (0.53) CES2EPHX2DNM1SIGMAR1CNR1
SCHEMBL18760168 0.82 EPHX2 (0.53) CES2EPHX2DNM1SIGMAR1CNR1

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 CES2 1669/4885MEN1 4055/4885THRB 1824/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CES2 1669/4885MEN1 4055/4885THRB 1824/4885

“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.