SCHEMBL5587662

SCHEMBL5587662

Cc1cc(C(C)C)c(N=Cc2ccccn2)c(C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.50
MAOA P21397 2/20 0.49
GAA P10253 1/20 0.45
MAOB P27338 1/20 0.44
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39

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
SCHEMBL5589004 0.99 NR4A1 (0.49) NR4A1MAOAGAAMAOBRAB9A
SCHEMBL3698092 0.90 NR4A1 (0.51) NR4A1MAOAGAAMAOBRAB9A
SCHEMBL27993726 0.88 NR4A1 (0.50) NR4A1MAOAGAAMAOBRAB9A
Hydrochloric Acid SCHEMBL3692594 0.87 NR4A1 (0.49) NR4A1MAOAGAAMAOBRAB9A
Bromide SCHEMBL3688174 0.87 NR4A1 (0.49) NR4A1MAOAGAAMAOBRAB9A
Hydrochloric Acid SCHEMBL3698859 0.87 NR4A1 (0.49) NR4A1MAOAGAAMAOBRAB9A
Bromide SCHEMBL3691302 0.87 NR4A1 (0.49) NR4A1MAOAGAAMAOBRAB9A
Hydrochloric Acid SCHEMBL3694562 0.87 NR4A1 (0.49) NR4A1MAOAGAAMAOBRAB9A
Bromide SCHEMBL3696248 0.87 NR4A1 (0.49) NR4A1MAOAGAAMAOBRAB9A
SCHEMBL3682351 0.86 NR4A1 (0.54) 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.