SCHEMBL21026077

SCHEMBL21026077

CC(C)NCCCOCCOCC(=O)C(C)S

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ADRB2 P07550 1/20 0.35
KDM4E B2RXH2 7/20 0.35
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
HRH3 Q9Y5N1 4/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL20325067 0.90 KDM4E (0.38) MEN1KMT2AADRB2KDM4EALDH1A1
SCHEMBL20325879 0.90 MEN1 (0.35) MEN1KMT2A
SCHEMBL22374671 0.90 KDM4E (0.38) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL24764220 0.90 KDM4E (0.42) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL18592262 0.87 MEN1 (0.37) MEN1KMT2AADRB2KDM4EALDH1A1
SCHEMBL22006328 0.85 MEN1 (0.36) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL23483049 0.83 MEN1 (0.37) MEN1KMT2AADRB2KDM4EALDH1A1
SCHEMBL18592235 0.82 KDM4E (0.39) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL21025933 0.81 MEN1 (0.35) MEN1KMT2A
SCHEMBL25827943 0.80 CES2 (0.44) MEN1KMT2AALDH1A1

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 MEN1 2454/4885KMT2A 2039/4885ADRB2 4577/4885
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 MEN1 2454/4885KMT2A 2039/4885ADRB2 4577/4885

“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.