SCHEMBL21026178

SCHEMBL21026178

COCCOCCc1ccc(CCOCCCOCc2ccc(C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.50
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AGXT P21549 2/20 0.39
GBA1 P04062 1/20 0.38
UGCG Q16739 1/20 0.38
GBA2 Q9HCG7 1/20 0.38
ADRB2 P07550 2/20 0.37
HCAR2 Q8TDS4 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
HRH1 P35367 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAOB P27338 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
SCHEMBL21341881 0.89 TDP1 (0.50) KCNH2TDP1L3MBTL1GBA1UGCG
SCHEMBL20234816 0.88 KCNH2 (0.51) KCNH2AGXTCYP1A2CYP2A6TAAR1
SCHEMBL16449105 0.88 AGXT (0.48) KCNH2AGXTGBA1UGCGGBA2
SCHEMBL8447026 0.88 KCNH2 (0.51) KCNH2AGXTCYP1A2CYP2A6TAAR1
SCHEMBL21026195 0.87 KCNH2 (0.54) KCNH2TDP1L3MBTL1AGXTGBA1
SCHEMBL7602427 0.86 AGXT (0.47) KCNH2TDP1L3MBTL1AGXTGBA1
SCHEMBL7606495 0.86 AGXT (0.50) KCNH2TDP1L3MBTL1AGXTGBA1
SCHEMBL20325300 0.84 KCNH2 (0.56) KCNH2TDP1L3MBTL1AGXTHCAR2
SCHEMBL16151476 0.84 KCNH2 (0.62) KCNH2TDP1L3MBTL1AGXTHCAR2
SCHEMBL7604510 0.83 AGXT (0.47) KCNH2TDP1L3MBTL1AGXTGBA1

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 KCNH2 4855/4885TDP1 1027/4885L3MBTL1 1470/4885
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 KCNH2 4855/4885TDP1 1027/4885L3MBTL1 1470/4885

“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.