SCHEMBL5677476

SCHEMBL5677476

CCCCCc1ccc(/N=C/C(CCCC)=N/c2ccc(CCC)c(CCC)c2)cc1CCCCC.[Ni]

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.36
▸ CYP2D6 P10635 3/20 0.36
▸ CYP2C9 P11712 3/20 0.36
▸ TYR P14679 3/20 0.35
▸ ALOX5 P09917 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ TP53 P04637 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 0.32
▸ ACR P10323 1/20 0.32
▸ PTGS2 P35354 1/20 0.30
▸ LIPG Q9Y5X9 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
SCHEMBL5677480 1.00 CYP3A4 (0.36) CYP3A4CYP2D6CYP2C9TYRALOX5
SCHEMBL5919763 0.97 CYP3A4 (0.38) CYP3A4CYP2D6CYP2C9TYRALOX5
SCHEMBL5919767 0.97 CYP3A4 (0.38) CYP3A4CYP2D6CYP2C9TYRALOX5
SCHEMBL5195386 0.96 CYP2C9 (0.35) CYP3A4CYP2D6CYP2C9
SCHEMBL5195378 0.96 CYP2C9 (0.35) CYP3A4CYP2D6CYP2C9
SCHEMBL5920185 0.95 CYP3A4 (0.38) CYP3A4CYP2D6CYP2C9TYRALOX5
SCHEMBL5921363 0.95 CYP3A4 (0.38) CYP3A4CYP2D6CYP2C9TYRALOX5
SCHEMBL5921365 0.95 CYP3A4 (0.38) CYP3A4CYP2D6CYP2C9TYRALOX5
SCHEMBL5680688 0.95 CYP2C9 (0.35) CYP3A4CYP2D6CYP2C9TYRALOX5
SCHEMBL5920179 0.95 CYP3A4 (0.38) CYP3A4CYP2D6CYP2C9TYRALOX5

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 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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