SCHEMBL5679276

SCHEMBL5679276

CCCCC(/C=N/c1ccc(CCC)cc1)=N\c1ccc(CCC)cc1.[Pd]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.50
CYP3A4 P08684 4/20 0.50
CYP2D6 P10635 3/20 0.50
CYP4Z1 Q86W10 4/20 0.39
CYP4F11 Q9HBI6 2/20 0.39
CYP4F12 Q9HCS2 2/20 0.39
ADRA2A P08913 3/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
PLAU P00749 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP19A1 P11511 1/20 0.36
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
AOC3 Q16853 1/20 0.34
ESR1 P03372 2/20 0.33

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
SCHEMBL5679282 1.00 CYP2C9 (0.50) CYP2C9CYP3A4CYP2D6CYP4Z1CYP4F11
SCHEMBL5924605 0.96 CYP2C9 (0.50) CYP2C9CYP3A4CYP2D6CYP4Z1CYP4F11
SCHEMBL5924602 0.96 CYP2C9 (0.50) CYP2C9CYP3A4CYP2D6CYP4Z1CYP4F11
SCHEMBL5681367 0.90 CYP3A4 (0.57) CYP2C9CYP3A4CYP2D6CYP4Z1CYP4F11
SCHEMBL5920611 0.90 CYP3A4 (0.57) CYP2C9CYP3A4CYP2D6CYP4Z1CYP4F11
SCHEMBL5919995 0.89 CYP3A4 (0.59) CYP2C9CYP3A4CYP2D6CYP4Z1ADRA2A
SCHEMBL5678749 0.89 CYP3A4 (0.59) CYP2C9CYP3A4CYP2D6CYP4Z1ADRA2A
SCHEMBL5920843 0.89 CYP3A4 (0.59) CYP2C9CYP3A4CYP2D6CYP4Z1ADRA2A
SCHEMBL5919841 0.89 CYP3A4 (0.59) CYP2C9CYP3A4CYP2D6CYP4Z1ADRA2A
SCHEMBL5920829 0.89 CYP3A4 (0.59) CYP2C9CYP3A4CYP2D6CYP4Z1ADRA2A

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-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III ZHAO BAIYI 2006-02-16 US disclosed
EP-1620447-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III Exxonmobil Chemical Patents Inc. (US) 2006-02-01 EP disclosed
WO-2003102006-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-12-11 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-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III COMT, CD69, SPR CYP2C9 3740/4885CYP3A4 1091/4885CYP2D6 2875/4885

“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.