SCHEMBL3819726

SCHEMBL3819726

CC(C)(C)c1cc(-c2c(C(C)(C)C)cc(Sc3cc(C(C)(C)C)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)c(C(C)(C)C)c3O[Si](C)(C)C)c(O[Si](C)(C)C)c2C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.40
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL3825989 0.86 HSP90AA1 (0.40) HSP90AA1CYP3A4TSHRALDH1A1TP53
SCHEMBL3824917 0.80 SMN1; SMN2 (0.39) CYP3A4TSHRALDH1A1TP53ALOX15
SCHEMBL3819722 0.78 HSP90AA1 (0.38) HSP90AA1CYP3A4TSHRALDH1A1TP53
SCHEMBL3820152 0.74 ALDH1A1 (0.33) HSP90AA1CYP3A4TSHRALDH1A1TP53
SCHEMBL3825196 0.71 RXRA (0.35) HSP90AA1CYP3A4TSHRALDH1A1TP53
SCHEMBL3824912 0.68 SMN1; SMN2 (0.47) CYP3A4TSHRALDH1A1TP53ALOX15
SCHEMBL241470 0.67 HSP90AA1 (0.62) HSP90AA1CYP3A4TSHRALDH1A1ALOX15
SCHEMBL29671062 0.67 HSP90AA1 (0.62) HSP90AA1CYP3A4TSHRALDH1A1ALOX15
SCHEMBL29370116 0.67 HSP90AA1 (0.62) HSP90AA1CYP3A4TSHRALDH1A1ALOX15
SCHEMBL1490760 0.67 HSP90AA1 (0.54) HSP90AA1CYP3A4TSHRALDH1A1TP53

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 247/4885TSHR 92/4885

“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.