SCHEMBL31055985

SCHEMBL31055985

C[Si](C)(C)CCOCn1ccc(-n2cccn2)n1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NLRP3 Q96P20 1/20 0.32
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
DGAT1 O75907 1/20 0.31
NOTUM Q6P988 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
SCHEMBL30467107 0.78 DGAT1 (0.33) DGAT1
SCHEMBL31416861 0.77 DGAT1 (0.33) DGAT1
SCHEMBL14723547 0.76 DGAT1 (0.34) DGAT1
SCHEMBL11617 0.76 FDPS (0.33) NPC1
Ammonia Solution, Strong SCHEMBL27898568 0.75 FDPS (0.32)
SCHEMBL3496820 0.73 DGAT1 (0.35) NPC1RAB9ASMN1; SMN2DGAT1
SCHEMBL401354 0.72 ALDH1A1 (0.39) ALDH1A1NPC1KMT2ADGAT1
SCHEMBL31308722 0.72 DGAT1 (0.35) NPC1DGAT1
SCHEMBL20744490 0.72 DGAT1 (0.40) NPC1SMN1; SMN2DGAT1
SCHEMBL30789772 0.72 DGAT1 (0.33) NPC1DGAT1

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-20250066350-A1 AROMATIC HETEROCYCLE-SUBSTITUTED COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF INNOVSTONE THERAPEUTICS LIMITED (CN) 2025-02-27 US disclosed
WO-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 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-20250066350-A1 AROMATIC HETEROCYCLE-SUBSTITUTED COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF ATR, WEE1, WEE2 KDM4E 2259/4885ALDH1A1 2265/4885NPC1 4439/4885

“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.