SCHEMBL560724

SCHEMBL560724

NCCCOCCOCCOCCO

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
TSHR P16473 3/20 0.56
MAPK1 P28482 1/20 0.56
THRB P10828 1/20 0.52
HTT P42858 1/20 0.52
MAPT P10636 1/20 0.52
ODC1 P11926 1/20 0.41
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.33
APP P05067 1/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.32

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
Tetraethylene Glycol SCHEMBL6422627 1.00 MEN1 (0.61) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL30230201 1.00 MEN1 (0.61) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL196866 1.00 MEN1 (0.61) MEN1KMT2ATSHRMAPK1THRB
Triethylene Glycol SCHEMBL5269020 1.00 MEN1 (0.61) MEN1KMT2ATSHRMAPK1THRB
Di(Hydroxyethyl)Ether SCHEMBL9686185 0.97 TSHR (0.59) MEN1KMT2ATSHRMAPK1THRB
Di(Hydroxyethyl)Ether SCHEMBL988734 0.97 TSHR (0.59) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL197255 0.97
SCHEMBL3284317 0.94 TSHR (0.56) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL6859053 0.92 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL10035947 0.90 MEN1 (0.60) MEN1KMT2ATSHRMAPK1THRB

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-20120035362-A1 PHOSPHORAMIDITE DERIVATIVES OF FOLIC ACID BERRY AND ASSOCIATES, INC. (US) 2012-02-09 US disclosed
WO-2012018729-A1 PHOSPHORAMIDITE DERIVATIVES OF FOLIC ACID BERRY AND ASSOCIATES, INC. (US) 2012-02-09 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-20120035362-A1 PHOSPHORAMIDITE DERIVATIVES OF FOLIC ACID FOLR1, FOLR2, DHFR MEN1 147/4885KMT2A 1607/4885TSHR 525/4885

“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.