SCHEMBL13286715

SCHEMBL13286715

CCCCOCCOP1(=O)OCC(C)(C)CO1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
CYP3A4 P08684 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL13471387 0.90 CYP1A2 (0.32) CYP3A4SMN1; SMN2
SCHEMBL16903717 0.84
SCHEMBL13471384 0.81
SCHEMBL13867157 0.77
SCHEMBL19680373 0.72
SCHEMBL13223747 0.71 RECQL (0.35) TSHRALDH1A1
SCHEMBL8736107 0.71 SMN1; SMN2 (0.37) CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL9611966 0.70 CYP3A4 (0.30) TSHRCYP3A4
SCHEMBL11630072 0.70
SCHEMBL17131979 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137465-A1 PHOSPHATE ESTER FLAME RETARDANT AND RESINS CONTAINING SAME ICL-IP AMERICA INC. 2010-06-03 US disclosed
US-20100137465-A1 PHOSPHATE ESTER FLAME RETARDANT AND RESINS CONTAINING SAME ICL-IP AMERICA INC. 2010-06-03 US disclosed
WO-2008085924-A1 PHOSPHATE ESTER FLAME RETARDANT AND RESINS CONTAINING SAME SUPRESTA LLC (US) 2008-07-17 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-20100137465-A1 PHOSPHATE ESTER FLAME RETARDANT AND RESINS CONTAINING SAME PFAS, PFKFB3, PFKFB2 TSHR 1640/4885CYP3A4 1739/4885SMN1; SMN2 3538/4885

“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.