SCHEMBL21069080

SCHEMBL21069080

O=C(O)NCCCOCCOCCO

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 4/20 0.42
MAPK1 P28482 1/20 0.42
ACHE P22303 1/20 0.40
EPHX2 P34913 1/20 0.38
RECQL P46063 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL19306452 0.98 TSHR (0.43) MEN1KMT2AMAPTTHRBHTT
SCHEMBL22326281 0.94 MEN1 (0.45) MEN1KMT2AMAPTTHRBHTT
SCHEMBL21068628 0.94 MEN1 (0.45) MEN1KMT2AMAPTTHRBHTT
SCHEMBL22326294 0.94 MEN1 (0.45) MEN1KMT2AMAPTTHRBHTT
SCHEMBL22326327 0.92 MEN1 (0.48) MEN1KMT2AMAPTTHRBHTT
SCHEMBL21070962 0.92 MEN1 (0.48) MEN1KMT2AMAPTTHRBHTT
SCHEMBL25369822 0.92 MEN1 (0.42) MEN1KMT2AMAPTTHRBHTT
Ethylene Glycol SCHEMBL8958263 0.91 ACHE (0.38) MAPTTSHRACHERECQLGAA
SCHEMBL20556415 0.91 TSHR (0.40) MEN1KMT2AMAPTHTTTSHR
SCHEMBL8958265 0.91 TSHR (0.40) MEN1KMT2AMAPTHTTTSHR

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 2404/4885MAPT 4490/4885

“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.