SCHEMBL22787017

SCHEMBL22787017

Cn1nc(C(F)(F)F)cc1-c1ccc(OCCCCCOCCOCCOCCN)c(-c2ccc(Cl)c(C(F)(F)F)c2)c1O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.34
HTR2A P28223 2/20 0.34
KCNH2 Q12809 1/20 0.33
KDM2B Q8NHM5 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
STIM1 Q13586 1/20 0.31
ORAI1 Q96D31 1/20 0.31
SPHK2 Q9NRA0 2/20 0.31
PDE4B Q07343 1/20 0.31
PDE3A Q14432 1/20 0.31
S1PR1 P21453 3/20 0.31
SCN9A Q15858 2/20 0.31
NOTUM Q6P988 1/20 0.30

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
SCHEMBL22787056 1.00 COMT (0.34) COMTHTR2AKCNH2KDM2BKDM4C
SCHEMBL27269805 0.92 COMT (0.34) COMTKCNH2KDM2BKDM4CSCN9A
SCHEMBL21786435 0.92 COMT (0.37) COMTHTR2AKCNH2KDM2BKDM4C
SCHEMBL27364374 0.89 RARA (0.37) COMTKCNH2KDM2BKDM4CSTIM1
SCHEMBL27269709 0.88 HTR2A (0.34) COMTHTR2AKCNH2KDM2BKDM4C
SCHEMBL27349291 0.88 PTGDR2 (0.34) COMTSPHK2S1PR1
SCHEMBL22791165 0.86 COMT (0.37) COMTHTR2AKCNH2STIM1ORAI1
SCHEMBL22791180 0.84 COMT (0.36) COMTKCNH2STIM1ORAI1SCN9A
SCHEMBL22790953 0.83 PPARD (0.34) COMTSTIM1ORAI1SCN9A
SCHEMBL27365158 0.82 COMT (0.32) COMT

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-20240207413-A1 PROTEOLYSIS-TARGETING CHIMERIC MOLECULES (PROTACS) THAT INDUCE DEGRADATION OF C-MYC PROTEIN NORTHWESTERN UNIVERSITY 2024-06-27 US disclosed
US-20200390894-A1 PROTEOLYSIS-TARGETING CHIMERIC MOLECULES (PROTACS) THAT INDUCE DEGRADATION OF C-MYC PROTEIN NORTHWESTERN UNIVERSITY (US) 2020-12-17 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-20200390894-A1 PROTEOLYSIS-TARGETING CHIMERIC MOLECULES (PROTACS) THAT INDUCE DEGRADATION OF C-MYC PROTEIN MYCBP, MYC, MYCBP2 COMT 2382/4885HTR2A 3806/4885KCNH2 4377/4885
US-20240207413-A1 PROTEOLYSIS-TARGETING CHIMERIC MOLECULES (PROTACS) THAT INDUCE DEGRADATION OF C-MYC PROTEIN MYCBP, MYC, MYCBP2 COMT 2382/4885HTR2A 3806/4885KCNH2 4377/4885

“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.