SCHEMBL3820132

SCHEMBL3820132

CC[Al](CC)Oc1c([C]c2cc(C)cc(C(C)(C)C)c2O[Al](CC)CC)cc(C)cc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CA2 P00918 1/20 0.35
POLB P06746 1/20 0.35
TYR P14679 1/20 0.35
HSPA5 P11021 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 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
SCHEMBL585869 0.87 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL3820540 0.78 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL3184954 0.74 CYP3A4 (0.44) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL937756 0.73 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL2279867 0.71 CYP2D6 (0.38) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL8859882 0.70 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL585549 0.69 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL585846 0.69 CYP3A4 (0.36) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL4564513 0.68 CYP2D6 (0.49) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL77412 0.68 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1CA2POLBTYR

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 4 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
EP-1881072-A1 DNA encoding a plant deoxyhypusine synthase, a plant eukaryotic initation factor 5A, transgenic plants and a method for controlling senescene and programmed cell death in plants Senesco, Inc. (US) 2008-01-23 EP 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 SMN1; SMN2 4386/4885ALDH1A1 1949/4885CA2 2841/4885

“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.