SCHEMBL12770239

SCHEMBL12770239

CC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)(F)C=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32
CYP3A4 P08684 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SMYD2 Q9NRG4 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL12704030 0.82 NR1H2 (0.32) NR1H2NR1H3
SCHEMBL14736855 0.79 CYP3A4 (0.36) CYP3A4HTTSMN1; SMN2SMYD2MEN1
SCHEMBL9845206 0.79 CYP3A4 (0.36) CYP3A4HTTSMN1; SMN2SMYD2MEN1
SCHEMBL12704099 0.78 CYP3A4 (0.30) CYP3A4HTTSMN1; SMN2
SCHEMBL12587456 0.78 CYP3A4 (0.33) CYP3A4HTTSMN1; SMN2SMYD2MEN1
SCHEMBL13577566 0.78 CYP3A4 (0.33) CYP3A4HTTSMN1; SMN2KMT2A
SCHEMBL12772162 0.78 CYP3A4 (0.33) CYP3A4HTTSMN1; SMN2SMYD2MEN1
SCHEMBL16350794 0.78 CYP3A4 (0.33) CYP3A4HTTSMN1; SMN2SMYD2MEN1
SCHEMBL12586595 0.77 SLC6A2 (0.32) NR1H2NR1H3CYP3A4HTTSMN1; SMN2
SCHEMBL705925 0.76 RIPK1 (0.34) CYP3A4HTTSMN1; SMN2SMYD2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130196987-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS EISAI CO., LTD. (JP) 2013-08-01 US disclosed
US-7915306-B2 For therapy of inflammatory or autoimmune disorders EISAI CO., LTD. (JP) 2011-03-29 US disclosed
US-7915306-B2 For therapy of inflammatory or autoimmune disorders EISAI CO., LTD. (JP) 2011-03-29 US disclosed
US-7799827-B2 Macrocyclic compounds useful as pharmaceuticals EISAI CO., LTD. (JP) 2010-09-21 US disclosed
US-7799827-B2 Macrocyclic compounds useful as pharmaceuticals EISAI CO., LTD. (JP) 2010-09-21 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-20130196987-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS FLT4, VEGFA, FLT1 NR1H2 889/4885NR1H3 1022/4885CYP3A4 1158/4885

“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.