SCHEMBL21980449

SCHEMBL21980449

CC[Si](C#CCCCCO)(CC)CC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
PGK1 P00558 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL893000 0.83
SCHEMBL8648156 0.82
SCHEMBL10566631 0.78 TSHR (0.38) LMNATSHR
SCHEMBL789558 0.76 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1
SCHEMBL23015167 0.74 LMNA (0.36) SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1
SCHEMBL1535208 0.74 LMNA (0.36) SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1
SCHEMBL23014944 0.74 LMNA (0.36) SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1
SCHEMBL23015187 0.74 LMNA (0.36) SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1
SCHEMBL14881122 0.74
SCHEMBL8800313 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025149479-A1 SYNTHESIS OF MODIFIED NUCLEOSIDE TRIPHOSPHATES ROCHE DIAGNOSTICS GMBH (DE) 2025-07-17 WO disclosed
US-20230135188-A1 FE/CU-MEDIATED KETONE SYNTHESIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-05-04 US disclosed
US-11498892-B2 Fe/Cu-mediated ketone synthesis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-11-15 US disclosed
US-20210179522-A9 FE/CU-MEDIATED KETONE SYNTHESIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-06-17 US disclosed
US-20200165183-A1 FE/CU-MEDIATED KETONE SYNTHESIS President and Fellows of Flarvard College (US) 2020-05-28 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 (4 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-20210179522-A9 FE/CU-MEDIATED KETONE SYNTHESIS TKT, COASY, FECH SMN1; SMN2 4362/4885ALDH1A1 812/4885LMNA 3467/4885
US-20200165183-A1 FE/CU-MEDIATED KETONE SYNTHESIS TKT, COASY, FECH SMN1; SMN2 4362/4885ALDH1A1 812/4885LMNA 3467/4885
US-11498892-B2 Fe/Cu-mediated ketone synthesis TKT, COASY, FECH SMN1; SMN2 4362/4885ALDH1A1 812/4885LMNA 3467/4885
US-20230135188-A1 FE/CU-MEDIATED KETONE SYNTHESIS TKT, COASY, FECH SMN1; SMN2 4362/4885ALDH1A1 812/4885LMNA 3467/4885

“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.