SCHEMBL23945494

SCHEMBL23945494

CCCCOCCOCCOCCNCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.50
CYP3A4 P08684 2/20 0.45
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
RECQL P46063 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 1/20 0.35
GAA P10253 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
PAOX Q6QHF9 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
SCHEMBL22473702 1.00 TSHR (0.50) TSHRCYP3A4ALDH1A1KDM4ERECQL
SCHEMBL8979951 0.98 TSHR (0.48) TSHRCYP3A4ALDH1A1KDM4ERECQL
SCHEMBL10961740 0.95 TSHR (0.53) TSHRCYP3A4ALDH1A1KDM4ERECQL
SCHEMBL5933768 0.95 TSHR (0.53) TSHRCYP3A4ALDH1A1KDM4ERECQL
SCHEMBL4622911 0.93 TSHR (0.52) TSHRCYP3A4ALDH1A1KDM4ERECQL
SCHEMBL22837699 0.91 TSHR (0.48) TSHRCYP3A4ALDH1A1MEN1KMT2A
SCHEMBL5932556 0.90 TSHR (0.50) TSHRCYP3A4ALDH1A1KDM4ERECQL
SCHEMBL5932174 0.90 TSHR (0.50) TSHRCYP3A4ALDH1A1KDM4ERECQL
SCHEMBL15713284 0.90 TSHR (0.43) TSHRCYP3A4ALDH1A1KDM4ERECQL
SCHEMBL15510573 0.88 TSHR (0.50) TSHRCYP3A4ALDH1A1RECQLMEN1

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 3 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-11318205-B1 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-05-03 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 (3 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 TSHR 3319/4885CYP3A4 2542/4885ALDH1A1 2776/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 TSHR 3319/4885CYP3A4 2542/4885ALDH1A1 2776/4885
US-11318205-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 TSHR 3319/4885CYP3A4 2542/4885ALDH1A1 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.