SCHEMBL4134682

SCHEMBL4134682

O=P(O)(O)COc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
PTPN1 P18031 1/20 0.36
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
FBP1 P09467 2/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL18526937 0.71 LPAR2 (0.42) POLB
SCHEMBL4146949 0.70 TSHR (0.43) TSHRSMN1; SMN2TDP1
SCHEMBL4147009 0.68 PTPN1 (0.31) PTPN1CA1CA2CA9
SCHEMBL8412575 0.67 CA1 (0.33) CA1CA2CA9
SCHEMBL3487751 0.67 INPPL1 (0.48) ALDH1A1TDP1CA1CA2CA9
SCHEMBL2089159 0.66 TSHR (0.35) TSHRSMN1; SMN2POLBMAPTTDP1
SCHEMBL2089158 0.66 CA1 (0.36) TSHRSMN1; SMN2POLBMAPTTDP1
SCHEMBL3068044 0.66
SCHEMBL7313557 0.65 TSHR (0.50) TSHRSMN1; SMN2POLBALDH1A1HTT
SCHEMBL20127258 0.64 TSHR (0.33) TSHRSMN1; SMN2POLBMAPTTDP1

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 GAA 4064/4885PTPN1 331/4885TSHR 4110/4885

“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.