SCHEMBL2279867

SCHEMBL2279867

CCCC[Al](CCCC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.38
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CA2 P00918 1/20 0.37
POLB P06746 1/20 0.37
TYR P14679 1/20 0.37
HSPA5 P11021 1/20 0.35
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
HIF1A Q16665 2/20 0.34
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
SCHEMBL585846 0.94 CYP3A4 (0.36) CYP2D6CYP3A4SMN1; SMN2ALDH1A1CA2
SCHEMBL585869 0.82 SMN1; SMN2 (0.42) CYP2D6CYP3A4SMN1; SMN2ALDH1A1CA2
SCHEMBL78319 0.81 CYP3A4 (0.36) CYP2D6CYP3A4SMN1; SMN2ALDH1A1CA2
SCHEMBL3184954 0.76 CYP3A4 (0.44) CYP2D6CYP3A4SMN1; SMN2ALDH1A1CA2
SCHEMBL586749 0.75 CA2 (0.33) ALDH1A1CA2
SCHEMBL937756 0.75 SMN1; SMN2 (0.42) CYP2D6CYP3A4SMN1; SMN2ALDH1A1CA2
SCHEMBL585549 0.75 SMN1; SMN2 (0.38) CYP2D6CYP3A4SMN1; SMN2ALDH1A1CA2
SCHEMBL77412 0.74 SMN1; SMN2 (0.48) CYP2D6CYP3A4SMN1; SMN2ALDH1A1CA2
SCHEMBL8859882 0.72 SMN1; SMN2 (0.39) CYP2D6CYP3A4SMN1; SMN2ALDH1A1CA2
SCHEMBL940460 0.72 SMN1; SMN2 (0.39) CYP2D6CYP3A4SMN1; SMN2ALDH1A1CA2

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
US-8343886-B2 Polymerization modifiers DOW GLOBAL TECHNOLOGIES, LLC (US) 2013-01-01 US disclosed
US-20110196117-A1 POLYMERIZATION MODIFIERS Dow Global Technologise LLC (US) 2011-08-11 US disclosed
US-20060014633-A1 Catalyst compositon for olefin polymerization SCHOTTENBERGER HERWIG 2006-01-19 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 (2 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-20110196117-A1 POLYMERIZATION MODIFIERS ALOX12, MYB, ALOX5 CYP2D6 2258/4885CYP3A4 1099/4885SMN1; SMN2 4024/4885
US-20060014633-A1 Catalyst compositon for olefin polymerization C1S, C1R, C1QBP CYP2D6 1177/4885CYP3A4 853/4885SMN1; SMN2 3691/4885

“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.