SCHEMBL19726993

SCHEMBL19726993

C#CCCC(=O)NCCOCCN

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.37
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA4 P22748 4/20 0.37
CA9 Q16790 4/20 0.37
CA14 Q9ULX7 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TLR2 O60603 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
ADORA3 P0DMS8 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
SCHEMBL3768115 0.98 CA2 (0.39) CA2CA12CA1CA4CA9
SCHEMBL18410862 0.88 CYP1A2 (0.39) CA2CA12CA1CA4CA9
SCHEMBL19733751 0.83 FAAH (0.34) CA2CA12CA1CA4CA9
SCHEMBL19727009 0.83 CA2 (0.34) CA2CA12CA1CA4CA9
SCHEMBL19726992 0.83 L3MBTL1 (0.41) CA2CA12CA1CA4CA9
SCHEMBL19733753 0.83 TSHR (0.40) CA2CA12CA1CA4CA9
SCHEMBL19821398 0.83 CA2 (0.37) CA2CA12CA1CA4CA9
SCHEMBL23789772 0.83 TSHR (0.40) CA2CA12CA1CA4CA9
SCHEMBL3768113 0.83 CA2 (0.37) CA2CA12CA1CA4CA9
SCHEMBL16492543 0.83 TSHR (0.40) L3MBTL1TSHRTLR2SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287030-A1 Metabolic labeling and molecular enhancement of biological materials using bioorthogonal reactions THE GENERAL HOSPITAL CORPORATION 2023-09-14 US disclosed
US-20230287030-A1 Metabolic labeling and molecular enhancement of biological materials using bioorthogonal reactions THE GENERAL HOSPITAL CORPORATION 2023-09-14 US disclosed
US-11634448-B2 Metabolic labeling and molecular enhancement of biological materials using bioorthogonal reactions THE GENERAL HOSPITAL CORPORATION (US) 2023-04-25 US disclosed
US-20170362266-A1 Metabolic labeling and molecular enhancement of biological materials using bioorthogonal reactions THE GENERAL HOSPITAL CORPORATION 2017-12-21 US disclosed
US-20170362266-A1 Metabolic labeling and molecular enhancement of biological materials using bioorthogonal reactions THE GENERAL HOSPITAL CORPORATION 2017-12-21 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 (3 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-11634448-B2 Metabolic labeling and molecular enhancement of biological materials using bioorthogonal reactions GALNT14, NEU4, CSGALNACT1 CA2 2104/4885CA12 252/4885CA1 1003/4885
US-20170362266-A1 Metabolic labeling and molecular enhancement of biological materials using bioorthogonal reactions GALNT14, NEU4, CSGALNACT1 CA2 2104/4885CA12 252/4885CA1 1003/4885
US-20230287030-A1 Metabolic labeling and molecular enhancement of biological materials using bioorthogonal reactions GALNT14, NEU4, CSGALNACT1 CA2 2104/4885CA12 252/4885CA1 1003/4885

“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.