SCHEMBL4535552

SCHEMBL4535552

C=C[Si](C)(C)CCCOC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
HTR1A P08908 1/20 0.41
CHRNB2 P17787 1/20 0.41
TBXA2R P21731 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41
GALR3 O60755 2/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL28364791 0.86 TSHR (0.38) ALDH1A1TSHRHPGDCYP3A4ATM
SCHEMBL9332254 0.84 TSHR (0.51) ALDH1A1TSHRHPGDCYP3A4
SCHEMBL9808738 0.83 TSHR (0.59) ALDH1A1SMN1; SMN2RAB9ATSHRHPGD
SCHEMBL4538793 0.82 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CHRM5CHRM1CHRM3
SCHEMBL28714124 0.81 TSHR (0.35) ALDH1A1TSHRHPGDCYP3A4LMNA
SCHEMBL21581394 0.80 TSHR (0.34) ALDH1A1TSHRHPGDCYP3A4
SCHEMBL9332257 0.79 ATM (0.43) ALDH1A1RAB9ATSHRHPGDCYP3A4
SCHEMBL3909812 0.78 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CHRM5CHRM1CHRM3
SCHEMBL13006965 0.77 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2CHRM5CHRM1CHRM3
SCHEMBL21581410 0.77 TSHR (0.34) ALDH1A1TSHRHPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114175345-B Nonaqueous electrolyte and energy device 三菱化学株式会社 2024-03-08 CN disclosed
CN-114175345-A Nonaqueous electrolyte solution and energy device 三菱化学株式会社 2022-03-11 CN disclosed
US-8197903-B2 Surface modified organic inorganic hybrid glass, protecting group induced alcohol or its derivative and producing method thereof INDUSTRY-ACADEMIC COOPERATION FOUNDATION YONSEI UNIVERSITY (KR) 2012-06-12 US disclosed
US-8197903-B2 Surface modified organic inorganic hybrid glass, protecting group induced alcohol or its derivative and producing method thereof INDUSTRY-ACADEMIC COOPERATION FOUNDATION YONSEI UNIVERSITY (KR) 2012-06-12 US disclosed
US-20090274910-A1 Surface Modified Organic Inorganic Hybrid Glass, Protecting Group Induced Alcohol or Its Derivative and Producing Method Thereof INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2009-11-05 US disclosed
US-20090274910-A1 Surface Modified Organic Inorganic Hybrid Glass, Protecting Group Induced Alcohol or Its Derivative and Producing Method Thereof INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2009-11-05 US disclosed
WO-2007120014-A1 SURFACE MODIFIED ORGANIC·INORGANIC HYBRID GLASS, PROTECTING GROUP INDUCED ALCOHOL OR ITS DERIVATIVE AND PRODUCING METHOD THEREOF INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2007-10-25 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-20090274910-A1 Surface Modified Organic Inorganic Hybrid Glass, Protecting Group Induced Alcohol or Its Derivative and Producing Method Thereof VIM, ICAM1, ILK ALDH1A1 201/4885SMN1; SMN2 3807/4885CHRM5 1694/4885

“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.