SCHEMBL23945793

SCHEMBL23945793

CC(C)NCCCOCCCN(C)C(=O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.36
KDM4E B2RXH2 6/20 0.34
ALDH1A1 P00352 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
ADRB2 P07550 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL25883383 0.88 HRH3 (0.34) HRH3KDM4EALDH1A1TDP1ADRB2
SCHEMBL23696200 0.86 KDM4E (0.34) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL23696195 0.86 HRH3 (0.36) HRH3KDM4EALDH1A1TDP1ADRB2
SCHEMBL23560446 0.85 HDAC6 (0.35) HRH3KDM4EALDH1A1
SCHEMBL23696191 0.83 HDAC6 (0.37) HRH3KDM4EALDH1A1
SCHEMBL25828428 0.83 SAT1 (0.36) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL21105780 0.83 KDM4E (0.40) KDM4EALDH1A1TDP1CYP1A2CYP2D6
SCHEMBL21105937 0.83 KDM4E (0.40) KDM4EALDH1A1TDP1CYP1A2CYP2D6
SCHEMBL23602083 0.83 KDM4E (0.40) KDM4EALDH1A1TDP1CYP1A2CYP2D6
SCHEMBL26404222 0.82 HDAC6 (0.31)

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-20230303526-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-28 US disclosed
WO-2023081759-A1 BIFUNCTIONAL PI3K-ALPHA INHIBITORS AND USES THEREOF RELAY THERAPEUTICS, INC. (US) 2023-05-11 WO disclosed
US-20230132715-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-04 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

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-20230132715-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 HRH3 3631/4885KDM4E 190/4885ALDH1A1 2776/4885
US-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 HRH3 3631/4885KDM4E 190/4885ALDH1A1 2776/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 HRH3 3631/4885KDM4E 190/4885ALDH1A1 2776/4885
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 HRH3 3631/4885KDM4E 190/4885ALDH1A1 2776/4885

“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.