SCHEMBL20067049

SCHEMBL20067049

CCOC(=O)CCN(CCC(=O)OCC)CC[Si](Cl)(Cl)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TRPA1 O75762 1/20 0.41
CYP1A2 P05177 1/20 0.40
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL20067032 0.90 CYP1A2 (0.42) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL66021 0.84 ALDH1A1 (0.54) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL20067037 0.84 BLM (0.35) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL2001291 0.82 ALDH1A1 (0.52) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL20067054 0.81 KMT2A (0.48) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL10957393 0.81 CYP1A2 (0.48) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL13756007 0.79 CYP1A2 (0.52) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL10257448 0.79 ALDH1A1 (0.48) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL64362 0.77 ALDH1A1 (0.46) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL22261569 0.77 ALDH1A1 (0.46) ALDH1A1TRPA1CYP1A2GAAMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200287239-A1 GRAPHENE COMPOUND AND MANUFACTURING METHOD THEREOF, ELECTROLYTE, AND POWER STORAGE DEVICE SEMICONDUCTOR ENERGY LAB (JP) 2020-09-10 US disclosed
US-10707524-B2 Graphene compound and manufacturing method thereof, electrolyte, and power storage device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2020-07-07 US disclosed
US-20180108944-A1 GRAPHENE COMPOUND AND MANUFACTURING METHOD THEREOF, ELECTROLYTE, AND POWER STORAGE DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-04-19 US disclosed
US-20180108944-A1 GRAPHENE COMPOUND AND MANUFACTURING METHOD THEREOF, ELECTROLYTE, AND POWER STORAGE DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-04-19 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 (3 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-10707524-B2 Graphene compound and manufacturing method thereof, electrolyte, and power storage device ILK, GK, KCNH3 ALDH1A1 1003/4885TRPA1 346/4885CYP1A2 1708/4885
US-20200287239-A1 GRAPHENE COMPOUND AND MANUFACTURING METHOD THEREOF, ELECTROLYTE, AND POWER STORAGE DEVICE ILK, GK, KCNH3 ALDH1A1 1003/4885TRPA1 346/4885CYP1A2 1708/4885
US-20180108944-A1 GRAPHENE COMPOUND AND MANUFACTURING METHOD THEREOF, ELECTROLYTE, AND POWER STORAGE DEVICE ILK, GK, KCNH3 ALDH1A1 1003/4885TRPA1 346/4885CYP1A2 1708/4885

“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.