SCHEMBL5590658

SCHEMBL5590658

Cc1cccc(C(C)C)c1N=Cc1ccccn1.[Ni]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.47
MAOA P21397 2/20 0.46
GAA P10253 2/20 0.43
MAOB P27338 1/20 0.43
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SLC2A1 P11166 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 3/20 0.37
USP2 O75604 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
LMNA P02545 3/20 0.36
HTT P42858 3/20 0.36

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
SCHEMBL18086818 0.99 NR4A1 (0.49) NR4A1MAOAGAAMAOBRAB9A
SCHEMBL5588926 0.99 NR4A1 (0.49) NR4A1MAOAGAAMAOBRAB9A
SCHEMBL5589850 0.91 NR4A1 (0.53) NR4A1MAOAGAAMAOBRAB9A
SCHEMBL30931819 0.90 NR4A1 (0.54) NR4A1MAOAGAAMAOBRAB9A
SCHEMBL3682351 0.90 NR4A1 (0.54) NR4A1MAOAGAAMAOBRAB9A
SCHEMBL3682352 0.90 NR4A1 (0.54) NR4A1MAOAGAAMAOBRAB9A
SCHEMBL32490152 0.90 NR4A1 (0.54) NR4A1MAOAGAAMAOBRAB9A
Hydrochloric Acid SCHEMBL5664626 0.88 NR4A1 (0.53) NR4A1MAOAGAAMAOBRAB9A
Bromide SCHEMBL8057298 0.87 NR4A1 (0.51) NR4A1MAOAGAAMAOBRAB9A
SCHEMBL5590527 0.87 NR4A1 (0.58) NR4A1MAOAGAAMAOBRAB9A

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 3 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

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 242/4885GAA 1882/4885

“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.