SCHEMBL25834223

SCHEMBL25834223

NCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.41
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA4 P22748 4/20 0.41
CA9 Q16790 4/20 0.41
CA14 Q9ULX7 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TLR2 O60603 2/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 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
SCHEMBL16329764 1.00 CA2 (0.41) CA2CA12CA1CA4CA9
SCHEMBL16867561 1.00 CA2 (0.41) CA2CA12CA1CA4CA9
SCHEMBL24592016 0.89 CA2 (0.47) CA2CA12CA1CA4CA9
SCHEMBL21415394 0.87 CA2 (0.44) CA2CA12CA1CA4CA9
SCHEMBL15119343 0.86 SMN1; SMN2 (0.42) CA2CA12CA1CA4CA9
SCHEMBL15870366 0.86 CA2 (0.44) CA2CA12CA1CA4CA9
SCHEMBL15773946 0.86 CA2 (0.41) CA2CA12CA1CA4CA9
SCHEMBL18155871 0.84 CA2 (0.42) CA2CA12CA1CA4CA9
SCHEMBL20904578 0.83 CA2 (0.44) CA2CA12CA1CA4CA9
SCHEMBL14575431 0.83 CA2 (0.44) CA2CA12CA1CA4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11701427-B2 Diels-alder conjugation methods REGENERON PHARMACEUTICALS, INC. (US) 2023-07-18 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 (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-11701427-B2 Diels-alder conjugation methods GLUL, TGM2, GLS CA2 2515/4885CA12 1051/4885CA1 1359/4885

“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.