SCHEMBL21291218

SCHEMBL21291218

C=C(CCCC)NCC(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
MMP1 P03956 1/20 0.33
MMP8 P22894 1/20 0.33
PSMB5 P28074 1/20 0.33
HTT P42858 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.31
FAAH O00519 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TP53 P04637 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
SCHEMBL23696755 0.94 EPHX1 (0.47) EPHX1CYP2D6CYP2C19CNR1CNR2
SCHEMBL25973013 0.92 EPHX1 (0.50) EPHX1CNR1CNR2CES2CES1
SCHEMBL25110744 0.92 EPHX1 (0.50) EPHX1CNR1CNR2CES2CES1
SCHEMBL18625376 0.86 CYP2D6 (0.41) EPHX1CYP2D6CYP2C19CNR1CNR2
SCHEMBL24685754 0.82 TSHR (0.37) EPHX1
SCHEMBL20153934 0.81 CNR1 (0.41) EPHX1CNR1CNR2FAAH
SCHEMBL24764125 0.81 CYP2D6 (0.37) EPHX1CYP2D6CYP2C19MMP1MMP8
SCHEMBL21291175 0.81 CYP2D6 (0.37) EPHX1CYP2D6CYP2C19MMP1MMP8
SCHEMBL21291261 0.81 CYP2D6 (0.37) EPHX1CYP2D6CYP2C19MMP1MMP8
SCHEMBL24673613 0.78 EPHX1 (0.37) EPHX1CYP2D6CYP2C19MMP1MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11779578-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11723980-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-08-15 US disclosed
US-20220340570-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2022-10-27 US disclosed
US-20210228562-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2021-07-29 US disclosed
WO-2019161213-A1 TRIALKYNE LINKING AGENTS AND METHODS OF USE Arrowhead Pharmaceuticals, Inc. (US) 2019-08-22 WO 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-11723980-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 EPHX1 1684/4885CYP2D6 3599/4885CYP2C19 3990/4885
US-20220340570-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 EPHX1 1684/4885CYP2D6 3599/4885CYP2C19 3990/4885
US-20210228562-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 EPHX1 1684/4885CYP2D6 3599/4885CYP2C19 3990/4885
US-11779578-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 EPHX1 1684/4885CYP2D6 3599/4885CYP2C19 3990/4885

“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.