SCHEMBL20067032

SCHEMBL20067032

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 3/20 0.38
TRPA1 O75762 1/20 0.38
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
NR1I2 O75469 1/20 0.35
PGR P06401 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
PTGS2 P35354 1/20 0.35
PDE4D Q08499 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
APOBEC3A P31941 1/20 0.35

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
SCHEMBL20067049 0.90 ALDH1A1 (0.41) CYP1A2ALDH1A1TRPA1GAAMGAM
SCHEMBL13756007 0.84 CYP1A2 (0.52) CYP1A2ALDH1A1TRPA1GAAMGAM
SCHEMBL20937027 0.82 CYP1A2 (0.50) CYP1A2ALDH1A1TRPA1GAAMGAM
SCHEMBL10362986 0.82 CYP1A2 (0.55) CYP1A2ALDH1A1TRPA1GAAMGAM
SCHEMBL30771774 0.82 CYP1A2 (0.41) CYP1A2ALDH1A1TRPA1GAAMGAM
SCHEMBL15383016 0.82 CYP1A2 (0.41) CYP1A2ALDH1A1TRPA1GAAMGAM
SCHEMBL29527403 0.82 CYP1A2 (0.41) CYP1A2ALDH1A1TRPA1GAAMGAM
SCHEMBL18334313 0.82 CYP1A2 (0.41) CYP1A2ALDH1A1TRPA1GAAMGAM
SCHEMBL66021 0.82 ALDH1A1 (0.54) CYP1A2ALDH1A1TRPA1GAAMGAM
SCHEMBL20067037 0.81 BLM (0.35) CYP1A2ALDH1A1TRPA1GAAMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20180108944-A1 GRAPHENE COMPOUND AND MANUFACTURING METHOD THEREOF, ELECTROLYTE, AND POWER STORAGE DEVICE ILK, GK, KCNH3 CYP1A2 1708/4885ALDH1A1 1003/4885TRPA1 346/4885

“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.