SCHEMBL22554979

SCHEMBL22554979

CC(C)(C)[Si](OCC1CCN1C1CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.40
CYP3A4 P08684 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM5 P41594 1/20 0.31
GRM1 Q13255 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL22554967 0.92 SMYD2 (0.39) SMYD2CYP3A4
SCHEMBL22554969 0.92 SMYD2 (0.39) SMYD2CYP3A4
SCHEMBL31460034 0.91 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL30805383 0.80 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL22555291 0.79 FAAH (0.39) SMYD2
SCHEMBL34466918 0.78 SMYD2 (0.35) SMYD2
SCHEMBL25906381 0.78 CHRNB2 (0.50)
SCHEMBL26694761 0.78 SMYD2 (0.41) SMYD2CYP3A4HTTSMN1; SMN2GRM5
SCHEMBL29875863 0.76 CHRNB4 (0.43)
SCHEMBL29945202 0.76 CHRNB4 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548888-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2023-01-10 US disclosed
EP-4087573-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2022-11-16 EP disclosed
US-20200331911-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2020-10-22 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 (2 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-11548888-B2 KRas G12C inhibitors KRAS, NRAS, HRAS SMYD2 3495/4885CYP3A4 4465/4885HTT 948/4885
US-20200331911-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS SMYD2 3495/4885CYP3A4 4465/4885HTT 948/4885

“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.