SCHEMBL4146949

SCHEMBL4146949

CCOP(=O)(COc1c(F)c(F)c(F)c(F)c1F)OCC

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
PPARD Q03181 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL12020461 0.80 TSHR (0.36) TSHRPPARD
SCHEMBL12020457 0.77 TSHR (0.33) TSHRPPARD
SCHEMBL24540306 0.75 PPARD (0.39) TSHRPPARD
SCHEMBL4147004 0.73 TSHR (0.40) TSHRPPARDSMN1; SMN2HPGDALOX15
SCHEMBL15438884 0.72 TSHR (0.39) TSHRPPARDSMN1; SMN2HPGDALOX15
SCHEMBL28511812 0.71 TSHR (0.50) TSHRPPARDSMN1; SMN2HPGDALOX15
SCHEMBL13421215 0.71 TSHR (0.46) TSHRPPARDSMN1; SMN2HPGDALOX15
SCHEMBL12232722 0.70 NQO1 (0.36) TSHRSMN1; SMN2TDP1
SCHEMBL4134682 0.70 GAA (0.39) TSHRSMN1; SMN2TDP1
SCHEMBL8488780 0.68 NPSR1 (0.41) TSHRHPGDMAPK1NPSR1

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-20120114974-A1 ELECTRONIC DEVICES COMPRISING NOVEL PHOSPHONIC ACID SURFACE MODIFIERS NATIONAL SCIENCE FOUNDATION 2012-05-10 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-20120114974-A1 ELECTRONIC DEVICES COMPRISING NOVEL PHOSPHONIC ACID SURFACE MODIFIERS EFNA1, PHOSPHO1, EPHA6 TSHR 4110/4885PPARD 2434/4885SMN1; SMN2 3316/4885

“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.