Sugi Predict

Sugi Predict / Compounds / SCHEMBL3820540

SCHEMBL3820540

SCHEMBL3820540

CC[Al](CC)Oc1c(Sc2cc(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 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CA2 P00918 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TYR P14679 1/20 0.35
▸ HIF1A Q16665 3/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ HSPA5 P11021 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL3825880 0.84 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1CA2POLBTYR
Water SCHEMBL3820178 0.82 ALDH1A1 (0.32) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL3826380 0.79 CYP3A4 (0.38) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL3820132 0.78 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL3820172 0.76 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL3184954 0.74 CYP3A4 (0.44) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL2873270 0.73 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL937756 0.73 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL3819955 0.72 SMN1; SMN2 (0.38) 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 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 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.