SCHEMBL413305

SCHEMBL413305

O=C(CP(=O)(O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
CETP P11597 3/20 0.56
ALDH1A1 P00352 5/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
FOLH1 Q04609 1/20 0.50
LMNA P02545 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HCAR2 Q8TDS4 1/20 0.44

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 0.85 ALDH1A1 (0.58) TSHRCETPALDH1A1MAPK1L3MBTL1
SCHEMBL6169362 0.84 ALDH1A1 (0.61) TSHRALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL28378069 0.83 ALDH1A1 (0.59) TSHRALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL5849992 0.81 ALDH1A1 (0.53) TSHRCETPALDH1A1MAPK1L3MBTL1
SCHEMBL4465319 0.80 ALDH1A1 (0.56) TSHRALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL13966888 0.80 ALDH1A1 (0.51) TSHRCETPALDH1A1MAPK1L3MBTL1
SCHEMBL3475313 0.79 ALDH1A1 (0.54) TSHRALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL3473788 0.79 ALDH1A1 (0.54) TSHRALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL28002451 0.79 TSHR (0.56) TSHRCETPALDH1A1FOLH1LMNA
SCHEMBL26466090 0.79 ALDH1A1 (0.54) TSHRALDH1A1MAPK1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TSHR 4335/4885CETP 1117/4885ALDH1A1 4784/4885

“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.