SCHEMBL5587889

SCHEMBL5587889

Cc1cc(C)c(N=Cc2ccccn2)c(C)c1.[Ni]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.59
MAOA P21397 2/20 0.57
MAOB P27338 1/20 0.51
GAA P10253 1/20 0.48
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL1683239 0.98 NR4A1 (0.61) NR4A1MAOAMAOBGAARAB9A
SCHEMBL5590327 0.98 NR4A1 (0.61) NR4A1MAOAMAOBGAARAB9A
Bromide SCHEMBL3696741 0.89 NR4A1 (0.57) NR4A1MAOAMAOBGAARAB9A
Hydrochloric Acid SCHEMBL3690303 0.89 NR4A1 (0.57) NR4A1MAOAMAOBGAARAB9A
SCHEMBL3687480 0.89 NR4A1 (0.61) NR4A1MAOAMAOBGAARAB9A
SCHEMBL5590527 0.87 NR4A1 (0.58) NR4A1MAOAMAOBGAARAB9A
Hydrochloric Acid SCHEMBL3691304 0.86 NR4A1 (0.57) NR4A1MAOAMAOBGAARAB9A
Hydrochloric Acid SCHEMBL3696298 0.86 NR4A1 (0.57) NR4A1MAOAMAOBGAARAB9A
Bromide SCHEMBL3693147 0.86 NR4A1 (0.57) NR4A1MAOAMAOBGAARAB9A
Bromide SCHEMBL3691157 0.86 NR4A1 (0.57) NR4A1MAOAMAOBGAARAB9A

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 NR4A1 557/4885MAOA 242/4885MAOB 359/4885

“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.