SCHEMBL5677611

SCHEMBL5677611

CCCCC(C=Nc1ccc(CCCC)c(CCCC)c1)=Nc1ccc(CCCC)c(CCCC)c1.CCCCCCCCNc1ccc2c(O)c(O)ccc2c1CCCCC

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 2/20 0.34
▸ CYP3A4 P08684 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ ALOX5 P09917 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 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
SCHEMBL4869325 0.99 TYR (0.33) TYR
SCHEMBL5920313 0.85 CYP3A4 (0.31) TYRCYP3A4MEN1TP53ALOX5
SCHEMBL4869166 0.84 MEN1 (0.30) TYRCYP3A4MEN1TP53ALOX5
SCHEMBL5920141 0.83 PLK1 (0.31) —
SCHEMBL4866830 0.82 PLK1 (0.31) —
SCHEMBL5919952 0.81 TYR (0.34) TYRCYP3A4MEN1TP53ALOX5
SCHEMBL4865851 0.80 TYR (0.32) TYR
SCHEMBL4865080 0.80 TYR (0.33) TYRCYP3A4MEN1TP53ALOX5
SCHEMBL5920942 0.78 CYP3A4 (0.38) TYRCYP3A4MEN1TP53ALOX5
SCHEMBL5920945 0.78 CYP3A4 (0.38) TYRCYP3A4MEN1TP53ALOX5

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 TYR 275/4885CYP3A4 1091/4885MEN1 3718/4885

“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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