SCHEMBL6493624

SCHEMBL6493624

CC(C)(C)[Si](C)(C)OCC=Cc1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.36
IDO1 P14902 3/20 0.36
CYP2C19 P33261 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35

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
SCHEMBL6493621 1.00 BACE1 (0.36) BACE1IDO1CYP2C19ALDH1A1KDM4E
SCHEMBL29566039 0.83 IDO1 (0.55) BACE1IDO1MAOBMAOAMEN1
SCHEMBL7395933 0.83 IDO1 (0.55) BACE1IDO1MAOBMAOAMEN1
SCHEMBL7395928 0.83 IDO1 (0.55) BACE1IDO1MAOBMAOAMEN1
SCHEMBL16773339 0.83 KDM4E (0.45) CYP2C19ALDH1A1KDM4EHPGDRAB9A
SCHEMBL17440547 0.83 KDM4E (0.45) CYP2C19ALDH1A1KDM4EHPGDRAB9A
SCHEMBL9724525 0.75 BACE1 (0.40) BACE1IDO1DUT
SCHEMBL8647804 0.75 CA12 (0.42) CYP2C19ALDH1A1KDM4EHPGDRAB9A
SCHEMBL1934370 0.75 CYP2C19 (0.38) BACE1CYP2C19ALDH1A1KDM4EHPGD
SCHEMBL8647806 0.75 CA12 (0.42) CYP2C19ALDH1A1KDM4EHPGDRAB9A

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
US-6867218-B2 Compounds, their preparation and use NOVO NORDISK A/S (DK) 2005-03-15 US disclosed
US-20030195200-A1 Compounds, their preparation and use VTVX HOLDINGS II LLC 2003-10-16 US disclosed
US-6555577-B1 For treatment and/or prevention of conditions mediated by the Peroxisome Proliferator-Activated Receptors (PPAR), such as diabetes and/or obesity; 3-(4-(3-Biphenyl-4-yl-but-2-enyloxy)-phenyl)-2-butoxy-propionic acid for example NOVO NORDISK A/S (DE) 2003-04-29 US disclosed
CN-1396903-A novel compounds, their preparation and use NOVO NORDISK AS (DK) 2003-02-12 CN 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-20030195200-A1 Compounds, their preparation and use PPARG, PPARA, PPARD BACE1 2164/4885IDO1 2836/4885CYP2C19 533/4885

“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.