SCHEMBL3825880

SCHEMBL3825880

Cc1cc(Sc2cc(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 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CA2 P00918 1/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
HIF1A Q16665 3/20 0.31
HSPA5 P11021 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
HSD17B10 Q99714 1/20 0.31

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
Water SCHEMBL3820178 0.99 ALDH1A1 (0.32) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL585549 0.88 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL3820540 0.84 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL3820533 0.79 ALDH1A1 (0.32) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL78216 0.75 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL3820172 0.73 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL3264363 0.72 CA1 (0.32) CA2
SCHEMBL3826380 0.72 CYP3A4 (0.38) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL2873270 0.70 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL585168 0.70 CA2 (0.36) SMN1; SMN2ALDH1A1CA2TSHRTDP1

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 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.