SCHEMBL19001602

SCHEMBL19001602

O=C(/C=C\C(=O)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL23880686 0.92 PYGL (0.33) PYGLSMN1; SMN2HPGDHTT
SCHEMBL18666775 0.92 PYGL (0.33) PYGLSMN1; SMN2HPGDHTT
SCHEMBL18885626 0.86 SMN1; SMN2 (0.42) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL28600185 0.86 SMN1; SMN2 (0.36) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL23751331 0.86 SMN1; SMN2 (0.36) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL12197747 0.85 SMN1; SMN2 (0.36) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL18532465 0.85 SMN1; SMN2 (0.36) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL13056639 0.85 SMN1; SMN2 (0.36) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL22202997 0.85 SMN1; SMN2 (0.36) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL19643024 0.85 SMN1; SMN2 (0.41) 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-10293055-B2 Acetylenedicarboxyl linkers and their uses in specific conjugation of a cell-binding molecule HANGZHOU DAC BIOTECH CO., LTD. (CN) 2019-05-21 — — US disclosed
US-20170173176-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE SUZHOU M-CONJ BIOTECH CO., LTD. (CN) 2017-06-22 — — 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-20170173176-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE AADAC, EPCAM, DCLRE1A PYGL 605/4885SMN1; SMN2 4722/4885HPGD 608/4885
US-10293055-B2 Acetylenedicarboxyl linkers and their uses in specific conjugation of a cell-binding molecule AADAC, EPCAM, DCLRE1A PYGL 605/4885SMN1; SMN2 4722/4885HPGD 608/4885

“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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