SCHEMBL8970526

SCHEMBL8970526

C[Si](C)(C)c1ccccc1CBr

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.37
TSHR P16473 3/20 0.35
TRPA1 O75762 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ELANE P08246 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
IDO1 P14902 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
LMNA P02545 1/20 0.31
BLM P54132 1/20 0.31
PNMT P11086 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
SCHEMBL18796272 0.86 TSHR (0.35) TSHRTRPA1ALDH1A1ELANECYP1A2
SCHEMBL20551650 0.79 ESR1 (0.41) TSHRTRPA1ALDH1A1
SCHEMBL21195817 0.79 TSHR (0.35) TSHRTRPA1ALDH1A1CYP1A2CYP2D6
SCHEMBL12441757 0.78 GABRA1 (0.42) MGAMELANECYP2D6GABRA1GABRB2
SCHEMBL21271561 0.76 MGAM (0.37) MGAMIDO1PNMT
SCHEMBL21195901 0.76 MGAM (0.37) MGAMIDO1PNMT
SCHEMBL9206225 0.76 APOBEC3G (0.48) MGAMTSHR
SCHEMBL4421739 0.76 MGAM (0.37) MGAMIDO1GABRA1GABRB2PNMT
SCHEMBL4432992 0.76 TSHR (0.38) MGAMTSHRALDH1A1CYP1A2CYP2D6
SCHEMBL5051116 0.76 IDO1 (0.44) MGAMIDO1PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190233444-A1 TRISUBSTITUTEDSILYLPHENOXYHETEROCYCLES AND ANALOGUES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-08-01 US claimed
US-5536732-A REDUCING INFECTIOUSNESS OF HIV MERRELL PHARMACEUTICALS INC. (US) 1996-07-16 US disclosed
US-H1401-H Fungicidal oxazolidinones E. I. DU PONT DE NEMOURS AND COMPANY, INC. (US) 1995-01-03 US disclosed
US-5252587-A Viricides, aids therapy, antidiabetic agent MERRELL DOW PHARMACEUTICALS, INC. (US) 1993-10-12 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-20190233444-A1 TRISUBSTITUTEDSILYLPHENOXYHETEROCYCLES AND ANALOGUES PIK3C3, ERG28, DDT MGAM 250/4885TSHR 4289/4885TRPA1 2988/4885

“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.