SCHEMBL5195386

SCHEMBL5195386

CCCCC(/C=N/c1ccc(CCC)c(CCC)c1)=N\c1ccc(CCC)c(CCC)c1.[Ni]

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 4/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ CYP2D6 P10635 3/20 0.35
▸ CYP1A2 P05177 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL5195378 1.00 CYP2C9 (0.35) CYP2C9CYP3A4CYP2D6CYP1A2CYP19A1
SCHEMBL5921131 0.97 CYP2C9 (0.35) CYP2C9CYP3A4CYP2D6CYP1A2CYP19A1
SCHEMBL5921128 0.97 CYP2C9 (0.35) CYP2C9CYP3A4CYP2D6CYP1A2CYP19A1
SCHEMBL5677476 0.96 CYP3A4 (0.36) CYP2C9CYP3A4CYP2D6
SCHEMBL5677480 0.96 CYP3A4 (0.36) CYP2C9CYP3A4CYP2D6
SCHEMBL5680691 0.96 CYP2C9 (0.35) CYP2C9CYP3A4CYP2D6CYP1A2CYP19A1
SCHEMBL5680688 0.96 CYP2C9 (0.35) CYP2C9CYP3A4CYP2D6CYP1A2CYP19A1
SCHEMBL5681098 0.95 CYP3A4 (0.32) CYP2C9CYP3A4CYP2D6
SCHEMBL5681101 0.95 CYP3A4 (0.32) CYP2C9CYP3A4CYP2D6
SCHEMBL5920722 0.95 CYP3A4 (0.37) CYP2C9CYP3A4CYP2D6CYP1A2CYP19A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620447-B1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III EXXONMOBIL CHEM PATENTS INC (US) 2007-08-08 — — EP disclosed
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.

Send feedback