SCHEMBL10000901

SCHEMBL10000901

C=CC(=O)OC(CC(=O)OP)(CC(=O)OP)C(=O)OP

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.32
TP53 P04637 3/20 0.32
HIF1A Q16665 3/20 0.32
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 4/20 0.31
HSD17B10 Q99714 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
SCHEMBL28624572 0.80 THRB (0.38) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL17050953 0.75 ALDH1A1 (0.33) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL28900861 0.72 TSHR (0.37) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL15318701 0.67
SCHEMBL9878914 0.66 ALDH1A1 (0.35) ALDH1A1TP53HIF1ACYP3A4MAPK1
Water SCHEMBL8392898 0.64 ALDH1A1 (0.34) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL564780 0.63
SCHEMBL17561661 0.61 LMNA (0.44) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL1772430 0.61 THRB (0.37) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL20685589 0.61 ALDH1A1 (0.35) ALDH1A1TP53HIF1ACYP3A4MAPK1

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-20130269568-A1 DERIVATIVES FOR PERFLUOROALKOXY SULFOSUCCINATES AS SURFACTANTS MERCK PATENT GMBH (DE) 2013-10-17 US disclosed
US-20130269568-A1 DERIVATIVES FOR PERFLUOROALKOXY SULFOSUCCINATES AS SURFACTANTS MERCK PATENT GMBH (DE) 2013-10-17 US disclosed
WO-2012084118-A1 DERIVATIVES OF PERFLUOROALKOXY SULFOSUCCINATES AS SURFACE-ACTIVE SURFACTANTS MERCK PATENT GMBH (DE) 2012-06-28 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-20130269568-A1 DERIVATIVES FOR PERFLUOROALKOXY SULFOSUCCINATES AS SURFACTANTS PFAS, SFXN3, FGB ALDH1A1 1212/4885TP53 944/4885HIF1A 3644/4885

“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.