SCHEMBL8545916

SCHEMBL8545916

CCCCCCOCCOCCNC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.53
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.52
EPHX2 P34913 2/20 0.51
PLA2G2C Q5R387 2/20 0.49
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
ACHE P22303 6/20 0.46
TSHR P16473 2/20 0.46
ZDHHC7 Q9NXF8 1/20 0.45
PAOX Q6QHF9 1/20 0.44
EPHX1 P07099 1/20 0.44

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
SCHEMBL24340726 1.00 CES2 (0.53) CES2MEN1THRBHTTKMT2A
SCHEMBL12123508 1.00 CES2 (0.53) CES2MEN1THRBHTTKMT2A
SCHEMBL22802925 0.98 CES2 (0.50) CES2MEN1THRBHTTKMT2A
SCHEMBL24891063 0.98 CES2 (0.50) CES2MEN1THRBHTTKMT2A
SCHEMBL23945686 0.98 CES2 (0.50) CES2MEN1THRBHTTKMT2A
SCHEMBL24508760 0.96 CES2 (0.52) CES2MEN1THRBHTTKMT2A
SCHEMBL22525950 0.93 KDM4E (0.59) CES2MEN1THRBHTTKMT2A
SCHEMBL23560302 0.93 KDM4E (0.59) CES2MEN1THRBHTTKMT2A
SCHEMBL22790644 0.92 SMN1; SMN2 (0.48) CES2MEN1THRBHTTKMT2A
SCHEMBL21947705 0.92 SMN1; SMN2 (0.48) CES2MEN1THRBHTTKMT2A

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 4 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
WO-2010140685-A1 HETEROCYCLIC COMPOUND AND HEMATOPOIETIC STEM CELL AMPLIFIER 日産化学工業株式会社 (JP) 2010-12-09 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 (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 CES2 3429/4885MEN1 1209/4885THRB 1012/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 CES2 3429/4885MEN1 1209/4885THRB 1012/4885

“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.