SCHEMBL9880244

SCHEMBL9880244

COCCO[Si](C)(OCCOC)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.40
TSHR P16473 2/20 0.37
KCNH3 Q9ULD8 2/20 0.35
ADRB2 P07550 1/20 0.34
NR1I2 O75469 1/20 0.34
ALDH1A1 P00352 3/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MPO P05164 1/20 0.32
NCF1 P14598 1/20 0.32

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
SCHEMBL9880245 0.83 CA2 (0.40) CA2TSHRKCNH3NR1I2ALDH1A1
SCHEMBL5363348 0.81 CA2 (0.41) CA2TSHRKCNH3NR1I2ALDH1A1
SCHEMBL426599 0.81 LMNA (0.38) ALDH1A1ESR1ESR2HPGDLMNA
SCHEMBL19356701 0.81 DUT (0.41) CA2TSHRKCNH3ALDH1A1POLB
SCHEMBL393946 0.81 CA2 (0.41) CA2TSHRKCNH3NR1I2ALDH1A1
SCHEMBL23521404 0.79 TAAR1 (0.43) TSHRALDH1A1ESR1ESR2HPGD
SCHEMBL11413675 0.79 ESR1 (0.33) ESR1ESR2
SCHEMBL16461626 0.79 HDAC3 (0.35) ESR1ESR2
SCHEMBL708763 0.78 LTA4H (0.46) TSHRALDH1A1TDP1MAPK1
SCHEMBL5344846 0.76 CA2 (0.38) CA2TSHRKCNH3ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765295-B2 Electrolyte including silane for use in electrochemical devices WEST ROBERT C (US) 2014-07-01 US disclosed
US-20120135313-A1 ELECTROLYTE INCLUDING SILANE FOR USE IN ELECTROCHEMICAL DEVICES WEST ROBERT C (US) 2012-05-31 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-20120135313-A1 ELECTROLYTE INCLUDING SILANE FOR USE IN ELECTROCHEMICAL DEVICES HCN2, CLCN2, SCNN1A CA2 50/4885TSHR 4161/4885KCNH3 62/4885

“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.