SCHEMBL804365

SCHEMBL804365

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL804728 0.98 TSHR (0.38) MEN1THRBHTTKMT2AMAPT
SCHEMBL1615256 0.94 TSHR (0.36) MEN1THRBHTTKMT2AMAPT
SCHEMBL13251278 0.90 TSHR (0.35) MEN1THRBHTTKMT2AMAPT
SCHEMBL10331167 0.88 TSHR (0.38) MEN1THRBHTTKMT2AMAPT
SCHEMBL1636800 0.88 TSHR (0.32) TSHR
SCHEMBL19728322 0.88 MEN1 (0.38) MEN1THRBHTTKMT2AMAPT
SCHEMBL12937852 0.88 MEN1 (0.38) MEN1THRBHTTKMT2AMAPT
SCHEMBL15293381 0.86 TSHR (0.57) MEN1THRBHTTKMT2AMAPT
SCHEMBL16260481 0.86 TSHR (0.31) TSHR
SCHEMBL15490974 0.86 TSHR (0.35) MEN1THRBHTTKMT2AMAPT

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 MEN1 647/4885THRB 2394/4885HTT 3326/4885

“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.