SCHEMBL3454563

SCHEMBL3454563

O=P(O)(O)OCCOCCOCCO.[LiH]

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TSHR P16473 3/20 0.48
MAPK1 P28482 1/20 0.48
LPAR3 Q9UBY5 8/20 0.40
LPAR2 Q9HBW0 6/20 0.40
LPAR1 Q92633 4/20 0.40
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL236333 0.98 MEN1 (0.55) MEN1KMT2ATSHRMAPK1LPAR3
SCHEMBL875411 0.98 MEN1 (0.55) MEN1KMT2ATSHRMAPK1LPAR3
SCHEMBL10998172 0.98 MEN1 (0.55) MEN1KMT2ATSHRMAPK1LPAR3
SCHEMBL125343 0.98 MEN1 (0.55) MEN1KMT2ATSHRMAPK1LPAR3
SCHEMBL113727 0.98 MEN1 (0.55) MEN1KMT2ATSHRMAPK1LPAR3
SCHEMBL1627450 0.98 MEN1 (0.55) MEN1KMT2ATSHRMAPK1LPAR3
SCHEMBL899138 0.98 MEN1 (0.55) MEN1KMT2ATSHRMAPK1LPAR3
SCHEMBL8904061 0.87 LPAR3 (0.48) MEN1KMT2ATSHRLPAR3LPAR2
SCHEMBL20580710 0.87 LPAR3 (0.48) MEN1KMT2ATSHRLPAR3LPAR2
SCHEMBL20193278 0.87 LPAR3 (0.48) MEN1KMT2ATSHRLPAR3LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267984-A1 OXYFLUOROPHOSPHATE SYNTHESIS PROCESS AND COMPOUND THEREFROM U.S. GOVERNMENT AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2010-10-21 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-20100267984-A1 OXYFLUOROPHOSPHATE SYNTHESIS PROCESS AND COMPOUND THEREFROM OXSR1, OR10J3, CA2 MEN1 3362/4885KMT2A 2978/4885TSHR 449/4885

“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.