SCHEMBL21383286

SCHEMBL21383286

CCC[Si](I)(CCC)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
KCNN4 O15554 1/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
KCNH3 Q9ULD8 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
PSIP1 O75475 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
SCHEMBL18108376 0.86 TSHR (0.36) ALDH1A1POLBMAPTKCNH3TSHR
SCHEMBL18108218 0.83 KCNH2 (0.42) TP53ALDH1A1KCNH3KMT2A
SCHEMBL18108290 0.83 KCNH2 (0.42) TP53ALDH1A1KCNH3KMT2A
SCHEMBL18108435 0.83 KCNH2 (0.42) TP53ALDH1A1KCNH3KMT2A
SCHEMBL18107985 0.81 KCNH2 (0.41) TP53ALDH1A1KCNH3KMT2A
SCHEMBL18108152 0.81 KCNH2 (0.41) TP53ALDH1A1KCNH3KMT2A
SCHEMBL21383132 0.81 TP53 (0.35) TP53ALDH1A1KDM4EGAAHPGD
SCHEMBL21383325 0.80 TP53 (0.38) TP53ALDH1A1KDM4EGAAHPGD
SCHEMBL21383027 0.77 TP53 (0.32) TP53ALDH1A1KDM4EGAAHPGD
SCHEMBL3889886 0.75 NR1H2 (0.50) TP53ALDH1A1KDM4EGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3768732-A1 PROCESS FOR FUNCTIONALIZATION OF ORGANO-ZINC COMPOUNDS WITH HALOSILANES USING BASIC NITROGEN CONTAINING HETEROCYCLES AND SILYL-FUNCTIONALIZED COMPOUNDS PREPARED THEREBY Dow Global Technologies LLC (US) 2021-01-27 EP disclosed
EP-3768733-A1 SILICON-TERMINATED TELECHELIC POLYOLEFIN COMPOSITIONS AND PROCESSES FOR PREPARING THE SAME Dow Global Technologies LLC (US) 2021-01-27 EP disclosed
US-20210017195-A1 PROCESS FOR FUNCTIONALIZATION OF ORGANO-ZINC COMPOUNDS WITH HALOSILANES USING BASIC NITROGEN CONTAINING HETEROCYCLES AND SILYL-FUNCTIONALIZED COMPOUNDS PREPARED THEREBY DOW GLOBAL TECHNOLOGIES LLC (US) 2021-01-21 US disclosed
US-20210017311-A1 SILICON-TERMINATED TELECHELIC POLYOLEFIN COMPOSITIONS AND PROCESSES FOR PREPARING THE SAME DOW GLOBAL TECHNOLOGIES LLC 2021-01-21 US disclosed
CN-111868110-A Silicon-terminated telechelic polyolefin compositions and methods of making the same 陶氏环球技术有限责任公司 2020-10-30 CN disclosed
CN-111868109-A Method for functionalizing organozinc compounds with halosilanes using basic nitrogen-containing heterocycles and silane-functionalized compounds prepared therefrom 陶氏环球技术有限责任公司 2020-10-30 CN disclosed
WO-2019182992-A1 PROCESS FOR FUNCTIONALIZATION OF ORGANO-ZINC COMPOUNDS WITH HALOSILANES USING BASIC NITROGEN CONTAINING HETEROCYCLES AND SILYL-FUNCTIONALIZED COMPOUNDS PREPARED THEREBY DOW GLOBAL TECHNOLOGIES LLC (US) 2019-09-26 WO disclosed
WO-2019182993-A1 SILICON-TERMINATED TELECHELIC POLYOLEFIN COMPOSITIONS AND PROCESSES FOR PREPARING THE SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2019-09-26 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-20210017195-A1 PROCESS FOR FUNCTIONALIZATION OF ORGANO-ZINC COMPOUNDS WITH HALOSILANES USING BASIC NITROGEN CONTAINING HETEROCYCLES AND SILYL-FUNCTIONALIZED COMPOUNDS PREPARED THEREBY ZRANB2, NISCH, ZKSCAN2 TP53 2664/4885ALDH1A1 3487/4885KDM4E 3214/4885

“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.