Sugi Predict

Sugi Predict / Compounds / SCHEMBL3819722

SCHEMBL3819722

SCHEMBL3819722

CC(C)(C)c1cc(Sc2cc(C(C)(C)C)cc(C(C)(C)C)c2O[Si](C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.38
▸ CYP3A4 P08684 2/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CA2 P00918 3/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HPN P05981 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SIRT5 Q9NXA8 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TYR P14679 1/20 0.33

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
SCHEMBL3820152 0.91 ALDH1A1 (0.33) HSP90AA1CYP3A4ALOX15TSHRALDH1A1
SCHEMBL3824912 0.86 SMN1; SMN2 (0.47) CYP3A4ALOX15TSHRALDH1A1SMN1; SMN2
SCHEMBL3825984 0.84 CA2 (0.43) HSP90AA1CYP3A4ALOX15TSHRALDH1A1
SCHEMBL31131308 0.83 CA2 (0.46) HSP90AA1CYP3A4ALOX15TSHRALDH1A1
SCHEMBL3820150 0.83 CA2 (0.46) HSP90AA1CYP3A4ALOX15TSHRALDH1A1
SCHEMBL3825195 0.80 RXRA (0.42) HSP90AA1CYP3A4ALOX15TSHRALDH1A1
SCHEMBL3819726 0.78 HSP90AA1 (0.40) HSP90AA1CYP3A4ALOX15TSHRALDH1A1
SCHEMBL3819955 0.75 SMN1; SMN2 (0.38) CYP3A4ALOX15TSHRALDH1A1SMN1; SMN2
SCHEMBL3826147 0.72 CA2 (0.46) HSP90AA1CYP3A4ALOX15TSHRALDH1A1
SCHEMBL9862267 0.72 SMN1; SMN2 (0.62) HSP90AA1CYP3A4ALOX15TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406726-B1 ORGANOALUMINIUM CATALYST, ITS PREPARATION AND ITS USE IN A PROCESS FOR THE POLYMERIZATION OF ALKYLENE OXIDES UNION CARBIDE CHEM PLASTIC (US) 2009-08-26 — — EP disclosed
US-7456127-B2 Organoaluminum catalyst UNION CARBIDE CHEMICALS AND PLASTICS TECHNOLOGY CORPORATION 2008-11-25 — — US disclosed
US-20040142814-A1 Organoaluminum catalyst UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY LLC 2004-07-22 — — US disclosed
EP-1406726-A2 ORGANOALUMINIUM CATALYST, ITS PREPARATION AND ITS USE IN A PROCESS FOR THE POLYMERIZATION OF ALKYLENE OXIDES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2004-04-14 — — EP disclosed
WO-2002098559-A2 ORGANOALUMINUM CATALYST, ITS PREPARATION AND ITS USE IN A PROCESS FOR THE POLYMERIZATION OF ALKYLENE OXIDES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY COR PORATION (US) 2002-12-12 — — 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-20040142814-A1 Organoaluminum catalyst AHR, LBR, NR1H3 HSP90AA1 2574/4885CYP3A4 247/4885ALOX15 207/4885

“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.