SCHEMBL18173574

SCHEMBL18173574

O=C(O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA2 P00918 4/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA4 P22748 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34
FBP1 P09467 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
SCHEMBL9447837 1.00 MEN1 (0.52) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL8958237 1.00 MEN1 (0.52) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL8958557 1.00 MEN1 (0.52) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL8958401 1.00 MEN1 (0.52) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL8958406 0.97 SMN1; SMN2 (0.48) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL23412771 0.93 SMN1; SMN2 (0.47) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL17144002 0.91 MEN1 (0.50) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
Triethylene Glycol SCHEMBL9447836 0.91 MEN1 (0.50) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL23636435 0.91 MEN1 (0.50) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL22022676 0.91 MEN1 (0.50) MEN1KMT2ASMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133337-A1 CALICHEAMICIN CONSTRUCTS AND METHODS OF USE ABBVIE STEMCENTRX LLC (US) 2018-05-17 US disclosed
EP-3285807-A1 CALICHEAMICIN CONSTRUCTS AND METHODS OF USE Abbvie Stemcentrx LLC (US) 2018-02-28 EP disclosed
WO-2016172273-A1 CALICHEAMICIN CONSTRUCTS AND METHODS OF USE STEM CENTRX, INC. (US) 2016-10-27 WO 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-20180133337-A1 CALICHEAMICIN CONSTRUCTS AND METHODS OF USE CALD1, CALR, CLSPN MEN1 3748/4885KMT2A 3572/4885SMN1; SMN2 4630/4885

“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.