SCHEMBL3454568

SCHEMBL3454568

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 2/20 0.43
TSHR P16473 3/20 0.38
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARD Q03181 2/20 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
SCHEMBL632894 0.97 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRMAPK1MEN1
SCHEMBL21587553 0.86 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRMAPK1MEN1
SCHEMBL28739951 0.84 CYP3A4 (0.54) ALDH1A1CYP3A4TSHRMEN1KMT2A
SCHEMBL992694 0.84 TSHR (0.65) ALDH1A1CYP3A4TSHRMEN1KMT2A
SCHEMBL16744306 0.82 TSHR (0.62) ALDH1A1CYP3A4TSHRMEN1KMT2A
SCHEMBL832376 0.80 MEN1 (0.58) ALDH1A1CYP3A4TSHRMAPK1MEN1
SCHEMBL5024256 0.80 MEN1 (0.58) ALDH1A1CYP3A4TSHRMAPK1MEN1
SCHEMBL7634088 0.80 CYP3A4 (0.39) ALDH1A1CYP3A4TSHRMAPK1MEN1
SCHEMBL7634769 0.80 CYP3A4 (0.39) ALDH1A1CYP3A4TSHRMAPK1MEN1
SCHEMBL9187927 0.80 CYP3A4 (0.77) CYP3A4TSHR

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 ALDH1A1 3986/4885CYP3A4 1385/4885TSHR 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.