SCHEMBL5921189

SCHEMBL5921189

CCCCCCCCC(C=Nc1ccc(CCCC)c(CCCC)c1)=Nc1ccc(CCCC)c(CCCC)c1.[Ni]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.37
▸ CYP2D6 P10635 3/20 0.37
▸ CYP2C9 P11712 3/20 0.37
▸ TYR P14679 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ PRSS1 P07477 1/20 0.33
▸ ACR P10323 1/20 0.33
▸ CHUK O15111 1/20 0.32
▸ DAPK3 O43293 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ PRKCG P05129 1/20 0.32

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
SCHEMBL5676644 1.00 CYP3A4 (0.37) CYP3A4CYP2D6CYP2C9TYRMEN1
SCHEMBL5920357 1.00 CYP3A4 (0.37) CYP3A4CYP2D6CYP2C9TYRMEN1
SCHEMBL5920349 1.00 CYP3A4 (0.37) CYP3A4CYP2D6CYP2C9TYRMEN1
SCHEMBL5919855 1.00 CYP3A4 (0.37) CYP3A4CYP2D6CYP2C9TYRMEN1
SCHEMBL5676646 1.00 CYP3A4 (0.37) CYP3A4CYP2D6CYP2C9TYRMEN1
SCHEMBL5921182 1.00 CYP3A4 (0.37) CYP3A4CYP2D6CYP2C9TYRMEN1
SCHEMBL5678797 1.00 CYP3A4 (0.37) CYP3A4CYP2D6CYP2C9TYRMEN1
SCHEMBL5678070 0.99 CYP3A4 (0.37) CYP3A4CYP2D6CYP2C9TYRMEN1
SCHEMBL5678074 0.99 CYP3A4 (0.37) CYP3A4CYP2D6CYP2C9TYRMEN1
SCHEMBL5920942 0.99 CYP3A4 (0.38) CYP3A4CYP2D6CYP2C9TYRMEN1

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 1 patent. 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

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 CYP3A4 1091/4885CYP2D6 2875/4885CYP2C9 3740/4885

“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.

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