SCHEMBL4068692

SCHEMBL4068692

O=P(O)(O)CCCCCCCCCCCOCc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 4/20 0.38
LPAR3 Q9UBY5 3/20 0.38
TYMS P04818 1/20 0.37
PNP P00491 9/20 0.34
HPRT1 P00492 2/20 0.33
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
NFKB1 P19838 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
S1PR3 Q99500 4/20 0.32
S1PR2 O95136 3/20 0.32
S1PR1 P21453 3/20 0.32

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
SCHEMBL4068275 0.98 LPAR2 (0.37) LPAR2LPAR3TYMSPNPHPRT1
SCHEMBL4135818 0.78 PPARD (0.37)
SCHEMBL10072425 0.76 PPARD (0.36)
SCHEMBL18526937 0.75 LPAR2 (0.42) LPAR2LPAR3TYMSS1PR3S1PR2
SCHEMBL2687119 0.75 LPAR2 (0.42) LPAR2LPAR3TYMSS1PR3S1PR2
SCHEMBL1005928 0.74 ALDH1A1 (0.46) LMNANFKB1PMP22
SCHEMBL4147009 0.74 PTPN1 (0.31)
SCHEMBL22463733 0.72
SCHEMBL4068237 0.71 CETP (0.53) S1PR3S1PR2S1PR1
SCHEMBL578339 0.71 CETP (0.53) S1PR3S1PR2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846978-B2 Electronic devices comprising novel phosphonic acid surface modifiers IMPERIAL INNOVATIONS LTD. (GB) 2014-09-30 US disclosed
US-8846978-B2 Electronic devices comprising novel phosphonic acid surface modifiers IMPERIAL INNOVATIONS LTD. (GB) 2014-09-30 US disclosed
EP-2417142-B1 ELECTRONIC DEVICES COMPRISING NOVEL PHOSPHONIC ACID SURFACE MODIFIERS GEORGIA TECH RES INST (US) 2014-07-23 EP disclosed
US-20120114974-A1 ELECTRONIC DEVICES COMPRISING NOVEL PHOSPHONIC ACID SURFACE MODIFIERS NATIONAL SCIENCE FOUNDATION 2012-05-10 US disclosed
US-20120114974-A1 ELECTRONIC DEVICES COMPRISING NOVEL PHOSPHONIC ACID SURFACE MODIFIERS NATIONAL SCIENCE FOUNDATION 2012-05-10 US disclosed
WO-2010115854-A1 ELECTRONIC DEVICES COMPRISING NOVEL PHOSPHONIC ACID SURFACE MODIFIERS GEORGIA TECH RESEARCH CORPORATION (US) 2010-10-14 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-20120114974-A1 ELECTRONIC DEVICES COMPRISING NOVEL PHOSPHONIC ACID SURFACE MODIFIERS EFNA1, PHOSPHO1, EPHA6 LPAR2 560/4885LPAR3 635/4885TYMS 2737/4885

“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.