SCHEMBL22326246

SCHEMBL22326246

NCCCCCOCCOCCNC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 6/20 0.43
PAOX Q6QHF9 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.38
PLG P00747 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
SLC6A2 P23975 1/20 0.38
RECQL P46063 1/20 0.38
SLC6A3 Q01959 1/20 0.38
EPOR P19235 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
GAA P10253 1/20 0.36
EPHX2 P34913 1/20 0.35
CA2 P00918 1/20 0.34
CYP2D6 P10635 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
SCHEMBL27160303 0.98 TLR2 (0.41) TLR2PAOXSMN1; SMN2MEN1KMT2A
SCHEMBL21069308 0.93 PAOX (0.50) TLR2PAOXMEN1KMT2AALDH1A1
SCHEMBL21069585 0.93 PAOX (0.50) TLR2PAOXMEN1KMT2AALDH1A1
SCHEMBL19586455 0.92 SMN1; SMN2 (0.42) TLR2PAOXSMN1; SMN2MEN1KMT2A
SCHEMBL22326140 0.91 PAOX (0.52) TLR2PAOXMEN1KMT2AALDH1A1
SCHEMBL21071023 0.91 PAOX (0.52) TLR2PAOXMEN1KMT2AALDH1A1
SCHEMBL22326266 0.85 PAOX (0.41) PAOXGAAEPHX2
SCHEMBL2330619 0.85 PAOX (0.39) TLR2PAOXSMN1; SMN2ALDH1A1RECQL
SCHEMBL21806080 0.85 PAOX (0.39) TLR2PAOXSMN1; SMN2ALDH1A1RECQL
SCHEMBL26923885 0.85 SMN1; SMN2 (0.38) TLR2PAOXSMN1; SMN2MEN1KMT2A

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-20240201196-A1 NON-COVALENT HALOTAG LIGANDS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) 2024-06-20 US disclosed
EP-4330333-A2 NON-COVALENT HALOTAG LIGANDS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2024-03-06 EP disclosed
WO-2020162725-A1 TARGET PROTEIN EED DEGRADATION-INDUCING DEGRADUCER, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASES RELATED TO EED, EZH2, OR PRC2, COMPRISING SAME AS ACTIVE INGREDIENT 한국화학연구원 2020-08-13 WO 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 (1 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-20240201196-A1 NON-COVALENT HALOTAG LIGANDS HDHD5, DIMT1, METTL14 TLR2 4292/4885PAOX 3961/4885SMN1; SMN2 4860/4885

“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.