SCHEMBL8404637

SCHEMBL8404637

CCCCCCOCCOCCNC(=O)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
EPHX2 P34913 2/20 0.48
TLR2 O60603 3/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.47
CES2 O00748 1/20 0.44
ACHE P22303 6/20 0.42
PLA2G2C Q5R387 1/20 0.42
MMP8 P22894 1/20 0.42
GLP1R P43220 3/20 0.41

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
SCHEMBL25834708 1.00 MEN1 (0.56) MEN1KMT2AEPHX2TLR2THRB
SCHEMBL23696456 0.98 MEN1 (0.58) MEN1KMT2AEPHX2TLR2THRB
SCHEMBL22856581 0.98 MEN1 (0.58) MEN1KMT2AEPHX2TLR2THRB
SCHEMBL22837704 0.98 MEN1 (0.58) MEN1KMT2AEPHX2TLR2THRB
SCHEMBL22837672 0.97 MEN1 (0.55) MEN1KMT2AEPHX2TLR2THRB
SCHEMBL21107013 0.93 MMP8 (0.49) MEN1KMT2ATHRBHTTMAPT
SCHEMBL22794783 0.93 MMP8 (0.49) MEN1KMT2ATHRBHTTMAPT
SCHEMBL23567935 0.93 KMT2A (0.59) MEN1KMT2AEPHX2TLR2MAPT
SCHEMBL21946252 0.93 KMT2A (0.59) MEN1KMT2AEPHX2TLR2MAPT
SCHEMBL8404639 0.93 KMT2A (0.59) MEN1KMT2AEPHX2TLR2MAPT

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-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
US-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-09-19 US disclosed
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2012-05-24 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 (2 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-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 MEN1 1209/4885KMT2A 1024/4885EPHX2 3254/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 MEN1 1209/4885KMT2A 1024/4885EPHX2 3254/4885

“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.