SCHEMBL5494552

SCHEMBL5494552

Cl[Si](Cl)(Cl)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
IDO1 P14902 2/20 0.45
AGXT P21549 2/20 0.45
TSHR P16473 2/20 0.45
ABCC4 O15439 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
PTGS1 P23219 1/20 0.45
HTT P42858 1/20 0.45
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
CYP17A1 P05093 1/20 0.44
CYP1A2 P05177 1/20 0.44
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
ALDH1A1 P00352 3/20 0.43
FFAR1 O14842 1/20 0.42
GRM2 Q14416 1/20 0.42
KIF11 P52732 1/20 0.39
HSP90AB1 P08238 2/20 0.39

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
SCHEMBL2687231 0.90 HRH3 (0.41) TAAR1CYP11B1CYP11B2CYP17A1FAAH
SCHEMBL242725 0.85 CALM1 (0.45) TAAR1IDO1TSHRLMNAPTGS1
SCHEMBL11199377 0.82 TAAR1 (0.47) TAAR1IDO1AGXTTSHRABCC4
SCHEMBL11200867 0.82 TAAR1 (0.47) TAAR1IDO1AGXTTSHRABCC4
SCHEMBL4450244 0.82 ESR1 (0.38) IDO1
SCHEMBL5493502 0.77 FFAR1 (0.48) TAAR1IDO1AGXTTSHRABCC4
SCHEMBL19979090 0.76 ESR1 (0.54) TAAR1IDO1AGXTTSHRABCC4
SCHEMBL2686016 0.76 HRH3 (0.31)
SCHEMBL5483434 0.74 FFAR1 (0.46) TAAR1FFAR1
SCHEMBL1550020 0.74 CALM1 (0.45) TAAR1IDO1TSHRLMNAPTGS1

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-7291747-B2 Silicon compounds and process for preparation thereof CHISSO CORPORATION (JP) 2007-11-06 US disclosed
US-20040143081-A1 Novel silicon compounds and process for preparation thereof JNC CORPORATION (JP) 2004-07-22 US disclosed
US-20020082438-A1 PROCESS FOR PREPARING ORGANOCHLOROSILANES BY DEHYDROHALOGENATIVE COUPLING REACTION OF ALKYL HALIDES WITH CHLOROSILANES JUNG IL-NAM (KR) 2002-06-27 US disclosed
US-6392077-B1 DEHYDROHALOGENATION KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2002-05-21 US disclosed
US-6251057-B1 FORMING SILICON-CARBON BONDS FOR USE IN ORGANOSILICON COMPOUNDS SYNTHESIS; ACTIVATED ALKYL HALIDES AND UNACTIVATED ALKYL HALIDES KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2001-06-26 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-20020082438-A1 PROCESS FOR PREPARING ORGANOCHLOROSILANES BY DEHYDROHALOGENATIVE COUPLING REACTION OF ALKYL HALIDES WITH CHLOROSILANES RCC1, RER1, RIF1 TAAR1 1433/4885IDO1 3000/4885AGXT 2443/4885

“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.