SCHEMBL22680923

SCHEMBL22680923

CN(C(=O)N(c1cccc(C(F)(F)F)c1)[Si](C)(C)C)[Si](C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
ALDH1A1 P00352 2/20 0.42
CES2 O00748 1/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
EGFR P00533 2/20 0.39
CSF1R P07333 2/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 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
SCHEMBL22680922 0.76 ALDH1A1 (0.46) ALDH1A1HTTSMN1; SMN2CYP3A4CYP2C19
SCHEMBL11174926 0.72 TACR1 (0.50) TP53ALDH1A1CES2MAPTHTT
SCHEMBL28141847 0.72 TP53 (0.50) TP53ALDH1A1CES2MAPTHTT
SCHEMBL11254225 0.72 TP53 (0.50) TP53ALDH1A1CES2MAPTHTT
SCHEMBL10943479 0.71 TP53 (0.49) TP53ALDH1A1CES2MAPTHTT
SCHEMBL8601016 0.71 TP53 (0.49) TP53ALDH1A1CES2MAPTHTT
Hydrochloric Acid SCHEMBL11726341 0.71 TP53 (0.49) TP53ALDH1A1CES2MAPTHTT
SCHEMBL171829 0.70 TSHR (0.48) TP53ALDH1A1CES2MEN1MAPK1
SCHEMBL30901511 0.70 TSHR (0.48) TP53ALDH1A1CES2MEN1MAPK1
SCHEMBL9807563 0.70 CRHBP (0.51) TP53ALDH1A1CES2MAPTHTT

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-20200365943-A1 ADDITIVE FOR BATTERY ELECTROLYTE, LITHIUM ION BATTERY ELECTROLYTE, AND LITHIUM ION BATTERY SHENZHEN BAK POWER BATTERY CO., LTD. (CN) 2020-11-19 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-20200365943-A1 ADDITIVE FOR BATTERY ELECTROLYTE, LITHIUM ION BATTERY ELECTROLYTE, AND LITHIUM ION BATTERY SOD1, SLC9B2, GRIN2B TP53 2208/4885ALDH1A1 3144/4885CES2 1011/4885

“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.