SCHEMBL4147004

SCHEMBL4147004

CCOP(=O)(COCc1c(F)c(F)c(F)c(F)c1F)OCC

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
PPARD Q03181 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL4135818 0.77 PPARD (0.37) TSHRPPARD
SCHEMBL13421215 0.76 TSHR (0.46) TSHRPPARDSMN1; SMN2HPGDALOX15
SCHEMBL10072425 0.76 PPARD (0.36) TSHRPPARD
SCHEMBL9499680 0.75 TSHR (0.60) TSHRPPARDTP53TDP1
SCHEMBL6311761 0.74 TSHR (0.48) TSHRPPARDSMN1; SMN2HPGDALOX15
SCHEMBL4146949 0.73 TSHR (0.43) TSHRPPARDSMN1; SMN2HPGDALOX15
SCHEMBL7940743 0.73 TSHR (0.57) TSHRPPARDTP53TDP1
SCHEMBL4147009 0.72 PTPN1 (0.31)
SCHEMBL4150229 0.69 TSHR (0.48) TSHRMAPK1NPSR1
SCHEMBL9304075 0.69 TSHR (0.52) TSHRPPARDSMN1; SMN2HPGDTP53

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.