SCHEMBL3820533

SCHEMBL3820533

Cc1cc([S+]([O-])c2cc(C)cc(C(C)(C)C)c2O[Al](CC(C)C)CC(C)C)c(O[Al](CC(C)C)CC(C)C)c(C(C)(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CA2 P00918 1/20 0.32
POLB P06746 1/20 0.32
TYR P14679 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
HSPA5 P11021 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
SCHEMBL585549 0.87 SMN1; SMN2 (0.38) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL3825880 0.79 SMN1; SMN2 (0.33) ALDH1A1CA2POLBTYRSMN1; SMN2
Water SCHEMBL3820178 0.78 ALDH1A1 (0.32) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL78216 0.74 SMN1; SMN2 (0.38) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL585869 0.69 SMN1; SMN2 (0.42) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL3264363 0.68 CA1 (0.32) CA2
SCHEMBL25419233 0.67 ALDH1A1 (0.32) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL7153443 0.67 ALDH1A1 (0.32) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL77412 0.64 SMN1; SMN2 (0.48) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL2279867 0.64 CYP2D6 (0.38) ALDH1A1CA2POLBTYRSMN1; SMN2

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
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

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 ALDH1A1 1949/4885CA2 2841/4885POLB 3387/4885

“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.