SCHEMBL417168

SCHEMBL417168

CCOC(=O)CP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.50
TSHR P16473 2/20 0.50
POLB P06746 1/20 0.48
ALDH1A1 P00352 4/20 0.46
PPID Q08752 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
FOLH1 Q04609 1/20 0.42

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
SCHEMBL6397781 0.89 ALDH1A1 (0.58) CETPTSHRALDH1A1L3MBTL1MAPK1
SCHEMBL5849992 0.88 ALDH1A1 (0.53) CETPTSHRPOLBALDH1A1L3MBTL1
SCHEMBL11307576 0.83 TSHR (0.51) CETPTSHRPOLBALDH1A1MAPK1
SCHEMBL4838971 0.82 CETP (0.52) CETPTSHRPOLBALDH1A1L3MBTL1
SCHEMBL30697394 0.81 CETP (0.55) CETPTSHRPOLBALDH1A1L3MBTL1
SCHEMBL10584148 0.80 TSHR (0.49) CETPTSHRALDH1A1L3MBTL1MAPK1
SCHEMBL413304 0.80 TSHR (0.60) CETPTSHRALDH1A1L3MBTL1MAPK1
SCHEMBL2659132 0.78 POLB (0.53) CETPTSHRPOLBALDH1A1L3MBTL1
SCHEMBL11331659 0.78 TSHR (0.53) CETPTSHRALDH1A1L3MBTL1MAPK1
SCHEMBL1450572 0.78 LMNA (0.48) TSHRPOLBALDH1A1L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024010810-A2 FC CONJUGATES INCLUDING AN INHIBITOR OF CD73 AND USES THEREOF CIDARA THERAPEUTICS, INC. (US) 2024-01-11 WO disclosed
US-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-01-26 US disclosed
WO-2010123599-A9 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-02-17 WO disclosed
WO-2010123599-A2 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-10-28 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-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS CUTA, MMP8, CLPP CETP 1117/4885TSHR 4335/4885POLB 287/4885

“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.