SCHEMBL23322944

SCHEMBL23322944

CC(C)(C)[Si](C)(C)OCc1ccc(N=C=O)c(CO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BACE1 P56817 1/20 0.33
USP14 P54578 1/20 0.32

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
SCHEMBL22901590 0.82 GABRA1 (0.37) HPGDBACE1
SCHEMBL4106972 0.79 CYP3A4 (0.49) CYP3A4TDP1BACE1USP14
SCHEMBL2596567 0.76 BACE1 (0.31) BACE1
SCHEMBL25239245 0.73 GABRA1 (0.30)
SCHEMBL30079928 0.73 USP14 (0.35) BACE1USP14
SCHEMBL1922496 0.72 NAAA (0.33) BACE1
SCHEMBL5000975 0.72 BACE1 (0.30) BACE1
SCHEMBL19022334 0.72 ALDH1A1 (0.31) ALDH1A1CYP3A4HPGDTDP1
SCHEMBL1742881 0.72 ALDH1A1 (0.37) ALDH1A1CYP3A4HPGDTDP1
SCHEMBL2854902 0.71 VDR (0.36) BACE1USP14

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-11253600-B2 Bioorthogonal compositions TAMBO, INC. (US) 2022-02-22 US disclosed
US-20210128733-A1 BIOORTHOGONAL COMPOSITIONS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2021-05-06 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-20210128733-A1 BIOORTHOGONAL COMPOSITIONS TIE1, BBOX1, ST14 ALDH1A1 3320/4885CYP3A4 2260/4885HPGD 1049/4885
US-11253600-B2 Bioorthogonal compositions TIE1, BBOX1, ST14 ALDH1A1 3320/4885CYP3A4 2260/4885HPGD 1049/4885

“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.