SCHEMBL3228612

SCHEMBL3228612

C[Si](C)(CCCCl)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.43
MAPT P10636 1/20 0.39
NR1H2 P55055 4/20 0.36
NR1H3 Q13133 4/20 0.36
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
SLC9A1 P19634 1/20 0.31
KCNA3 P22001 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
SCHEMBL3235109 0.94 MGAM (0.39) MGAMMAPTNR1H2NR1H3ESR1
SCHEMBL28024246 0.86 MAPT (0.41) MGAMMAPTNR1H2NR1H3ESR1
SCHEMBL18084487 0.86 MGAM (0.44) MGAMMAPTNR1H2NR1H3ESR1
SCHEMBL3238058 0.83 ESR1 (0.34) MGAMMAPTESR1ESR2SLC9A1
SCHEMBL9217667 0.81 MAPT (0.47) MGAMMAPTNR1H2NR1H3ESR1
SCHEMBL8908096 0.81 ESR1 (0.33) MGAMMAPTESR1ESR2SLC9A1
SCHEMBL9633376 0.81 NR1H2 (0.39) MGAMNR1H2NR1H3
SCHEMBL5801979 0.80 NR1H2 (0.53) MGAMMAPTNR1H2NR1H3ESR1
SCHEMBL4271660 0.80 SLC9A1 (0.32) SLC9A1KCNA3
Methane SCHEMBL27264866 0.79 NR1H2 (0.38) MGAMNR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069330-A1 Pharmaceutical Compositions and Methods for Preparing and Using Lipophilic Organosulfur Cell Proliferation Inhibitors Gately, Stephen (US) 2010-03-18 US disclosed
WO-2008147814-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR PREPARING AND USING LIPOPHILIC ORGANOSULFUR CELL PROLIFERATION INHIBITORS SILAMED, INC. (US) 2008-12-04 WO disclosed
US-5536732-A REDUCING INFECTIOUSNESS OF HIV MERRELL PHARMACEUTICALS INC. (US) 1996-07-16 US disclosed
EP-0454580-B1 Novel nojirimycin derivatives MERRELL DOW PHARMA (US) 1995-12-27 EP disclosed
US-5252587-A Viricides, aids therapy, antidiabetic agent MERRELL DOW PHARMACEUTICALS, INC. (US) 1993-10-12 US disclosed
EP-0454580-A2 Novel nojirimycin derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1991-10-30 EP disclosed
EP-0453692-A1 Novel nojirimycin derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1991-10-30 EP 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-20100069330-A1 Pharmaceutical Compositions and Methods for Preparing and Using Lipophilic Organosulfur Cell Proliferation Inhibitors SI, SLCO2B1, SLCO1B1 MGAM 1271/4885MAPT 2080/4885NR1H2 421/4885

“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.