SCHEMBL17131982

SCHEMBL17131982

C=C(O)COP(=O)(OCC)OCC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PPARD Q03181 2/20 0.37
CYP3A4 P08684 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
POLB P06746 2/20 0.32
NR1I2 O75469 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 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
SCHEMBL4821960 0.82 TSHR (0.59) TSHRTP53TDP1PPARDCYP3A4
SCHEMBL9502851 0.80 TSHR (0.56) TSHRTP53TDP1PPARDCYP3A4
SCHEMBL17131984 0.78 TSHR (0.54) TSHRTP53TDP1PPARDCYP3A4
Triethyl Phosphate SCHEMBL23045857 0.77 TSHR (0.59) TSHRTP53TDP1PPARDCYP3A4
Triethyl Phosphate SCHEMBL27822049 0.77 TSHR (1.00) TSHRTP53TDP1PPARDCYP3A4
Triethyl Phosphate SCHEMBL1332591 0.77 TSHR (1.00) TSHRTP53TDP1PPARDCYP3A4
Triethyl Phosphate SCHEMBL28023664 0.77 TSHR (1.00) TSHRTP53TDP1PPARDCYP3A4
Triethyl Phosphate SCHEMBL21887 0.77 TSHR (1.00) TSHRTP53TDP1PPARDCYP3A4
Triethyl Phosphate SCHEMBL38651170 0.75 TSHR (0.72) TSHRTP53TDP1PPARDCYP3A4
Triethyl Phosphate SCHEMBL27620136 0.75 TSHR (0.72) TSHRTP53TDP1PPARDCYP3A4

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-9738766-B2 Organophosphorus compounds for flame retardant polyurethane foams DOW GLOBAL TECHNOLOGIES LLC (US) 2017-08-22 US disclosed
US-20150274915-A1 ORGANOPHOSPHORUS COMPOUNDS FOR FLAME RETARDANT POLYURETHANE FOAMS DOW GLOBAL TECHNOLOGIES LLC (US) 2015-10-01 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-20150274915-A1 ORGANOPHOSPHORUS COMPOUNDS FOR FLAME RETARDANT POLYURETHANE FOAMS PFAS, FGR, FFAR3 TSHR 267/4885TP53 2121/4885TDP1 254/4885

“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.