SCHEMBL21025883

SCHEMBL21025883

CCNCCCCOc1ccc(CC(C)C=O)nc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
HTT P42858 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
LTA4H P09960 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
SCHEMBL23664605 0.78 POLB (0.40) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8893687 0.73 CTNNB1 (0.34) ALDH1A1KDM4EPPARGPPARA
SCHEMBL21026048 0.73 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1RAB9AKMT2A
SCHEMBL18551312 0.69 DRD2 (0.50) KMT2ADRD2DRD4DRD3
SCHEMBL11105109 0.66 TP53 (0.51) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7616010 0.65 DRD2 (0.66) DRD2DRD4DRD3LTA4HL3MBTL1
SCHEMBL18672996 0.65 DRD4 (0.51) MEN1RAB9AKMT2ASMN1; SMN2HTT
SCHEMBL21933649 0.64 POLB (0.50) ALDH1A1KDM4ERAB9APOLBCYP4F2
SCHEMBL11895109 0.64 DRD2 (0.63) DRD2DRD4DRD3LTA4HL3MBTL1
SCHEMBL16854785 0.63 NR5A1 (0.53) ALDH1A1KDM4ERAB9AHTTLTA4H

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-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2021-07-20 US disclosed
US-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES ARVINAS OPERATIONS, INC. 2019-05-23 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-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES IRAK1, IRAK4, IRAK2 ALDH1A1 2896/4885KDM4E 1071/4885MEN1 2454/4885
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 ALDH1A1 2896/4885KDM4E 1071/4885MEN1 2454/4885

“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.