SCHEMBL4068237

SCHEMBL4068237

O=P(O)(O)CCCCCCCCCCCCCCCCCCCOCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.53
S1PR3 Q99500 4/20 0.49
S1PR2 O95136 2/20 0.49
S1PR4 O95977 2/20 0.49
S1PR1 P21453 2/20 0.49
TSHR P16473 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
EPHX2 P34913 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43

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
SCHEMBL578339 1.00 CETP (0.53) CETPS1PR3S1PR2S1PR4S1PR1
SCHEMBL578336 0.98 CETP (0.51) CETPS1PR3S1PR2S1PR4S1PR1
SCHEMBL8733377 0.93 TSHR (0.52) CETPS1PR3S1PR2S1PR4S1PR1
SCHEMBL2333456 0.86 TSHR (0.55) CETPS1PR3S1PR2S1PR4S1PR1
SCHEMBL26985983 0.86 S1PR3 (0.41) CETPS1PR3S1PR2S1PR4S1PR1
SCHEMBL24487094 0.83 TSHR (0.54) CETPS1PR3S1PR2S1PR4S1PR1
SCHEMBL4238988 0.83 TSHR (0.53) CETPTSHRL3MBTL1TDP1EPHX2
SCHEMBL20958119 0.83 TSHR (0.52) CETPTSHRL3MBTL1MEN1KMT2A
SCHEMBL20958153 0.83 TSHR (0.52) CETPTSHRL3MBTL1MEN1KMT2A
SCHEMBL9011734 0.82 TSHR (0.67) TSHRL3MBTL1TDP1EPHX2MEN1

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 2 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-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 CETP 4728/4885S1PR3 1996/4885S1PR2 1962/4885

“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.