SCHEMBL8404335

SCHEMBL8404335

COCCOCCNS(=O)(=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.38
ALDH1A1 P00352 7/20 0.36
LMNA P02545 4/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 3/20 0.33
HTT P42858 2/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.30

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
SCHEMBL13849322 0.88 ALDH1A1 (0.44) ALDH1A1LMNAHPGDSMN1; SMN2MAPT
SCHEMBL15116352 0.83 EPHX1 (0.46) CA2ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL17715002 0.82 ALDH1A1 (0.37) CA2ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL8404337 0.81 TSHR (0.39) ALDH1A1MAPTHTTMEN1TSHR
SCHEMBL19042264 0.80 EPHX1 (0.36) CA2ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL13849290 0.80 GAA (0.36) ALDH1A1SMN1; SMN2MAPTKDM4ETSHR
SCHEMBL17765005 0.80 CA2 (0.40) CA2ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL14415060 0.78 CA2 (0.41) CA2ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL14853505 0.78 CA2 (0.41) CA2ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL19042270 0.76 CA2 (0.43) CA2ALDH1A1LMNAHPGDSMN1; SMN2

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-20140227780-A1 METHOD FOR PRODUCING MEGAKARYOCYTES AND/OR PLATELETS FROM PLURIPOTENT STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-08-14 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 CA2 4023/4885ALDH1A1 291/4885LMNA 1746/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 CA2 4023/4885ALDH1A1 291/4885LMNA 1746/4885

“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.