SCHEMBL3230668

SCHEMBL3230668

ClCCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
SLC9A1 P19634 1/20 0.32
KCNA3 P22001 1/20 0.32
FAAH O00519 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
SCHEMBL3237864 0.93 FAAH (0.33) KDM4EALDH1A1GLAGAASLC9A1
SCHEMBL8908265 0.79 SLC9A1 (0.32) SLC9A1KCNA3
SCHEMBL4271660 0.79 SLC9A1 (0.32) SLC9A1KCNA3
SCHEMBL10402043 0.79 CALM1 (0.35) ALDH1A1
SCHEMBL3228612 0.77 MGAM (0.43) SLC9A1KCNA3
SCHEMBL3238058 0.77 ESR1 (0.34) SLC9A1KCNA3
SCHEMBL6841739 0.77 ALDH1A1 (0.32) KDM4EALDH1A1GLAGAASLC9A1
SCHEMBL10629120 0.76 TDP1 (0.37) ALDH1A1GAA
SCHEMBL7139123 0.76 HDAC3 (0.39) ALDH1A1
SCHEMBL8986065 0.76 TDP1 (0.37) ALDH1A1

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-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

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 KDM4E 1727/4885ALDH1A1 1781/4885GLA 2534/4885

“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.