SCHEMBL804728

SCHEMBL804728

CCCC[Si](C)(C)O[Si](C)(C)CCCOCCC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL804365 0.98 MEN1 (0.38) TSHRMEN1THRBHTTKMT2A
SCHEMBL1615256 0.96 TSHR (0.36) TSHRMEN1THRBHTTKMT2A
SCHEMBL13251278 0.92 TSHR (0.35) TSHRMEN1THRBHTTKMT2A
SCHEMBL1636800 0.89 TSHR (0.32) TSHR
SCHEMBL15490974 0.88 TSHR (0.35) TSHRMEN1THRBHTTKMT2A
SCHEMBL16260481 0.88 TSHR (0.31) TSHR
SCHEMBL804359 0.87 TSHR (0.33) TSHRMEN1THRBHTTKMT2A
SCHEMBL14700556 0.87 TSHR (0.33) TSHRMEN1THRBHTTKMT2A
SCHEMBL47736 0.86 TSHR (0.59) TSHRMEN1THRBHTTKMT2A
SCHEMBL10331153 0.86 TSHR (0.48) TSHRMEN1THRBHTTKMT2A

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-8399524-B2 Acyl acidic amino acid ester AJINOMOTO CO., INC. (JP) 2013-03-19 US disclosed
US-20120071570-A1 NOVEL ACYL ACIDIC AMINO ACID ESTER AJINOMOTO CO., INC. (JP) 2012-03-22 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-20120071570-A1 NOVEL ACYL ACIDIC AMINO ACID ESTER FFAR2, FFAR1, FFAR3 TSHR 3923/4885MEN1 647/4885THRB 2394/4885

“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.