SCHEMBL5587427

SCHEMBL5587427

CC(=Nc1c(C)cc(C)cc1C)c1cccc(C(C)=Nc2c(C)cc(C)cc2C)n1.[Ni]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PAX8 Q06710 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 1/20 0.32
KDM4E B2RXH2 4/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ACMSD Q8TDX5 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPFFR1 Q9GZQ6 1/20 0.31
NPFFR2 Q9Y5X5 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL453477 0.98 HSP90AA1 (0.36) HSP90AA1MEN1KMT2AATMALDH1A1
SCHEMBL453478 0.98 HSP90AA1 (0.36) HSP90AA1MEN1KMT2AATMALDH1A1
SCHEMBL5587833 0.97 HSP90AA1 (0.35) HSP90AA1MEN1KMT2AATMALDH1A1
SCHEMBL5590270 0.97 HSP90AA1 (0.35) HSP90AA1MEN1KMT2AATMALDH1A1
SCHEMBL5588611 0.97 HSP90AA1 (0.35) HSP90AA1MEN1KMT2AATMALDH1A1
SCHEMBL5588127 0.97 HSP90AA1 (0.35) HSP90AA1MEN1KMT2AATMALDH1A1
SCHEMBL5588774 0.97 HSP90AA1 (0.35) HSP90AA1MEN1KMT2AATMALDH1A1
Hydrochloric Acid SCHEMBL811295 0.95 PAX8 (0.35) HSP90AA1MEN1KMT2AATMALDH1A1
Hydrochloric Acid SCHEMBL817480 0.95 PAX8 (0.35) HSP90AA1MEN1KMT2AATMALDH1A1
Hydrochloric Acid SCHEMBL7175041 0.95 PAX8 (0.35) HSP90AA1MEN1KMT2AATMALDH1A1

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 5 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-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 HSP90AA1 4349/4885MEN1 3377/4885KMT2A 1733/4885

“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.