SCHEMBL5587279

SCHEMBL5587279

CCc1cccc(CC)c1N=Cc1ncccn1.[Ni]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.42
GABRB2 P47870 4/20 0.42
PKM P14618 2/20 0.36
TAAR1 Q96RJ0 2/20 0.35
HTR1A P08908 1/20 0.35
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
BACE1 P56817 1/20 0.33
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
CASP1 P29466 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5587879 0.98 GABRA1 (0.43) GABRA1GABRB2PKMTAAR1HTR1A
SCHEMBL5587872 0.98 GABRA1 (0.43) GABRA1GABRB2PKMTAAR1HTR1A
SCHEMBL5589888 0.87 GABRA1 (0.40) GABRA1GABRB2PKMTAAR1HTR1A
SCHEMBL5588122 0.82 NR4A1 (0.53) PKMALDH1A1GAALMNANPC1
SCHEMBL5589043 0.80 NR4A1 (0.54) PKMALDH1A1GAALMNANPC1
SCHEMBL5589057 0.80 NR4A1 (0.54) PKMALDH1A1GAALMNANPC1
Hydrochloric Acid SCHEMBL7184928 0.77 GABRA1 (0.43) GABRA1GABRB2PKMTAAR1HTR1A
SCHEMBL5589638 0.77 KDM4E (0.38) ALDH1A1GAANPC1RAB9AKMT2A
SCHEMBL5589581 0.76 CTH (0.37) GABRA1GABRB2PKMTAAR1HTR1A
Hydrochloric Acid SCHEMBL7176933 0.76 GABRA1 (0.42) GABRA1GABRB2PKMTAAR1HTR1A

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 GABRA1 3688/4885GABRB2 3686/4885PKM 244/4885

“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.