SCHEMBL5589427

SCHEMBL5589427

CC(=Nc1c(C)cccc1C(C)C)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
PAX8 Q06710 1/20 0.41
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
TOP2A P11388 2/20 0.39
AGTR1 P30556 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
MITF O75030 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
OPRK1 P41145 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HKDC1 Q2TB90 1/20 0.38

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
SCHEMBL16471834 1.00 KDM4E (0.47) KDM4EPAX8ALDH1A1NPC1RAB9A
SCHEMBL5693530 0.99 KDM4E (0.46) KDM4EPAX8ALDH1A1NPC1RAB9A
SCHEMBL8166694 0.91 KDM4E (0.53) KDM4EPAX8ALDH1A1NPC1RAB9A
SCHEMBL242519 0.91 KDM4E (0.53) KDM4EPAX8ALDH1A1NPC1RAB9A
SCHEMBL242518 0.91 KDM4E (0.53) KDM4EPAX8ALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL5083705 0.90 KDM4E (0.51) KDM4EPAX8ALDH1A1NPC1RAB9A
SCHEMBL8167553 0.90 KDM4E (0.51) KDM4EPAX8ALDH1A1NPC1RAB9A
SCHEMBL6917834 0.87 KDM4E (0.58) KDM4EPAX8ALDH1A1NPC1RAB9A
SCHEMBL5589082 0.87 KDM4E (0.58) KDM4EPAX8ALDH1A1NPC1RAB9A
SCHEMBL1776466 0.85 GABRA1 (0.37) ALDH1A1KMT2AMEN1LMNAHSP90AA1

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-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US disclosed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP disclosed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 US disclosed
EP-1325924-B1 Chromium catalysts active in olefin polymerisation REPSOL QUIMICA SA (ES) 2005-03-16 EP 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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 KDM4E 1868/4885PAX8 3856/4885ALDH1A1 2181/4885

“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.