SCHEMBL21767237

SCHEMBL21767237

CCC(=O)NCCOCCOCCNC(=O)CCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ TSHR P16473 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RECQL P46063 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ TPSAB1 Q15661 1/20 0.33
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA4 P22748 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ CA14 Q9ULX7 2/20 0.32
▸ MTNR1A P48039 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
SCHEMBL20365824 0.99 SMN1; SMN2 (0.46) SMN1; SMN2HPGDHTTTSHRMEN1
SCHEMBL19934110 0.95 SMN1; SMN2 (0.51) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL15763867 0.94 SMN1; SMN2 (0.41) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL16234542 0.93 SMN1; SMN2 (0.45) SMN1; SMN2HPGDHTTTSHRL3MBTL1
SCHEMBL20008742 0.92 SMN1; SMN2 (0.48) SMN1; SMN2HPGDHTTTSHRMEN1
SCHEMBL12690424 0.91 SMN1; SMN2 (0.40) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL30837144 0.91 SMN1; SMN2 (0.40) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL19732577 0.90 SMN1; SMN2 (0.45) SMN1; SMN2HPGDHTTTSHRMEN1
SCHEMBL17773347 0.90 SMN1; SMN2 (0.47) SMN1; SMN2HPGDHTTTSHRL3MBTL1
SCHEMBL17145176 0.90 HPGD (0.40) SMN1; SMN2HPGDHTTMEN1KMT2A

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-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2024-02-29 — — US disclosed
US-20200062757-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2020-02-27 — — 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-20200062757-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 SMN1; SMN2 3628/4885HPGD 2327/4885HTT 2150/4885
US-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 SMN1; SMN2 3628/4885HPGD 2327/4885HTT 2150/4885

“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.

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