SCHEMBL21068628

SCHEMBL21068628

O=C(O)NCCCCOCCOCCO

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
EPHX2 P34913 7/20 0.40
ACHE P22303 5/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL22326281 1.00 MEN1 (0.45) MEN1KMT2ATHRBHTTMAPT
SCHEMBL22326294 1.00 MEN1 (0.45) MEN1KMT2ATHRBHTTMAPT
SCHEMBL21070962 0.98 MEN1 (0.48) MEN1KMT2ATHRBHTTMAPT
SCHEMBL22326327 0.98 MEN1 (0.48) MEN1KMT2ATHRBHTTMAPT
SCHEMBL25369822 0.98 MEN1 (0.42) MEN1KMT2ATHRBHTTMAPT
SCHEMBL21070920 0.96 MEN1 (0.45) MEN1KMT2ATHRBHTTMAPT
SCHEMBL21069080 0.94 MEN1 (0.46) MEN1KMT2ATHRBHTTMAPT
SCHEMBL19306452 0.92 TSHR (0.43) MEN1KMT2ATHRBHTTMAPT
SCHEMBL25385542 0.85 MEN1 (0.50) MEN1KMT2ATHRBHTTMAPT
SCHEMBL23636435 0.85 MEN1 (0.50) MEN1KMT2ATHRBHTTMAPT

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
EP-3727355-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER AstraZeneca AB (SE) 2020-10-28 EP disclosed
US-20190194190-A1 Compounds and Their Use in Treating Cancer ASTRAZENECA PHARMACEUTICALS LP 2019-06-27 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 (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-20190194190-A1 Compounds and Their Use in Treating Cancer F12, CCNY, CCNE1 MEN1 474/4885KMT2A 2404/4885THRB 1736/4885

“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.