SCHEMBL5682003

SCHEMBL5682003

CCCCC(C=Nc1ccc(CCCC)c(CCCC)c1)=Nc1ccc(CCCC)c(CCCC)c1.[Pd]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 6/20 0.38
▸ CYP3A4 P08684 6/20 0.38
▸ CYP2D6 P10635 5/20 0.38
▸ TYR P14679 3/20 0.36
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ CYP4Z1 Q86W10 1/20 0.32
▸ CYP4F11 Q9HBI6 1/20 0.32
▸ CYP4F12 Q9HCS2 1/20 0.32
▸ CYP19A1 P11511 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CTRC Q99895 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
SCHEMBL5919951 1.00 CYP2C9 (0.38) CYP2C9CYP3A4CYP2D6TYRCYP1A2
SCHEMBL5677603 0.99 CYP2C9 (0.38) CYP2C9CYP3A4CYP2D6TYRCYP1A2
SCHEMBL5677607 0.99 CYP2C9 (0.38) CYP2C9CYP3A4CYP2D6TYRCYP1A2
SCHEMBL5677462 0.97 CYP2C9 (0.38) CYP2C9CYP3A4CYP2D6TYRCYP1A2
SCHEMBL5677469 0.97 CYP2C9 (0.38) CYP2C9CYP3A4CYP2D6TYRCYP1A2
SCHEMBL5921363 0.96 CYP3A4 (0.38) CYP2C9CYP3A4CYP2D6TYRCYP1A2
SCHEMBL5921365 0.96 CYP3A4 (0.38) CYP2C9CYP3A4CYP2D6TYRCYP1A2
SCHEMBL5676849 0.96 CYP3A4 (0.37) CYP2C9CYP3A4CYP2D6TYRCYP1A2
SCHEMBL5676854 0.96 CYP3A4 (0.37) CYP2C9CYP3A4CYP2D6TYRCYP1A2
SCHEMBL5677386 0.95 CYP3A4 (0.37) CYP2C9CYP3A4CYP2D6TYRMEN1

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.

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