SCHEMBL12425644

SCHEMBL12425644

COCOc1cc(Cl)c(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1Br

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
RAD52 P43351 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
SCHEMBL15610599 0.85 MEN1 (0.38) GAAHTT
SCHEMBL4112434 0.81 RIPK1 (0.37) CYP3A4
SCHEMBL12509911 0.78 CLCN2 (0.33) CLCN2
SCHEMBL147397 0.76 LMNA (0.36) ALDH1A1GAAHTT
SCHEMBL5672566 0.76 PYCR1 (0.35) ALDH1A1
SCHEMBL6298659 0.75 PYCR1 (0.35) ALDH1A1
SCHEMBL12425646 0.74 LMNA (0.39) ALDH1A1GAAHTT
SCHEMBL14126456 0.72 NQO2 (0.35) ALDH1A1GAA
SCHEMBL5672882 0.72 SMN1; SMN2 (0.35) ALDH1A1HTT
SCHEMBL31185675 0.72 SLC6A4 (0.32)

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-7977466-B2 C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2011-07-12 US disclosed
US-7772407-B2 C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2010-08-10 US disclosed
US-20090069252-A1 C-GLYCOSIDE DERIVATIVES AND SALTS THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-12 US disclosed
US-20070161787-A1 C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2007-07-12 US disclosed
US-7202350-B2 C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2007-04-10 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-20070161787-A1 C-glycoside derivatives and salts thereof SLC5A1, SLC5A2, SLC2A1 CLCN2 369/4885CYP1A2 1601/4885CYP3A4 2688/4885
US-20090069252-A1 C-GLYCOSIDE DERIVATIVES AND SALTS THEREOF SLC5A1, SLC5A2, SLC2A1 CLCN2 369/4885CYP1A2 1601/4885CYP3A4 2688/4885

“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.