SCHEMBL4336329

SCHEMBL4336329

C[C@H](CO[Si](C)(C)C(C)(C)C)NCC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MLYCD O95822 7/20 0.32
BTN3A1 O00481 1/20 0.31
PTPRC P08575 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 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
SCHEMBL4336337 1.00 CYP2D6 (0.33) CYP2D6GAAMAPTTDP1MLYCD
SCHEMBL19236789 0.84 GAA (0.37) GAAMAPT
SCHEMBL19208043 0.83 ALDH1A1 (0.31) MAPTTDP1
SCHEMBL28803305 0.83 ALDH1A1 (0.31) MAPTTDP1
SCHEMBL5001765 0.78 CA1 (0.45) CYP2D6L3MBTL1CA1CA2CA7
SCHEMBL5001764 0.78 CA1 (0.45) CYP2D6L3MBTL1CA1CA2CA7
SCHEMBL16689247 0.75 CYP2D6 (0.38) CYP2D6MLYCDBTN3A1
SCHEMBL23247723 0.74 CYP2D6 (0.36) CYP2D6MLYCDBTN3A1
SCHEMBL26926905 0.74 BTN3A1 (0.32) CYP2D6BTN3A1
SCHEMBL1508734 0.73 CYP2D6 (0.42) CYP2D6GAAMAPTTDP1PTPRC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612068-B2 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2009-11-03 US disclosed
US-20060235003-A1 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2006-10-19 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 (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-20060235003-A1 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives TYR, TPST2, COMT CYP2D6 75/4885GAA 861/4885MAPT 654/4885

“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.