SCHEMBL907594

SCHEMBL907594

O=C(O)COCCOCCOCCOCCOCCOS(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.45
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 1/20 0.39
PARL Q9H300 1/20 0.38
TBXAS1 P24557 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 1/20 0.37
PTK2B Q14289 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
MAPK1 P28482 1/20 0.36
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
HRH1 P35367 2/20 0.36
SLC6A2 P23975 1/20 0.36
HRH2 P25021 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL30011527 0.88 ALDH1A1 (0.50) ALDH1A1PARLSMN1; SMN2KMT2AMAPK1
SCHEMBL30890353 0.87 ALDH1A1 (0.41) TBXA2RALDH1A1PARLSMN1; SMN2KMT2A
SCHEMBL12902109 0.86 STAT3 (0.49) TBXA2RALDH1A1FFAR4ENPP3ENPP1
SCHEMBL15875070 0.86 STAT3 (0.49) TBXA2RALDH1A1FFAR4ENPP3ENPP1
SCHEMBL21612886 0.86 STAT3 (0.49) TBXA2RALDH1A1FFAR4ENPP3ENPP1
SCHEMBL23636470 0.86 STAT3 (0.49) TBXA2RALDH1A1FFAR4ENPP3ENPP1
SCHEMBL3922312 0.86 STAT3 (0.49) TBXA2RALDH1A1FFAR4ENPP3ENPP1
SCHEMBL13101828 0.86 STAT3 (0.49) TBXA2RALDH1A1FFAR4ENPP3ENPP1
SCHEMBL7957938 0.84 STAT3 (0.50) TBXA2RALDH1A1ENPP3ENPP1
SCHEMBL907441 0.83 ALDH1A1 (0.43) ALDH1A1PARLSMN1; SMN2KMT2AMAPK1

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-20110021529-A1 P53 ACTIVATING COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2011-01-27 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-20110021529-A1 P53 ACTIVATING COMPOUNDS TP53, TP53BP1, SIRT1 TBXA2R 4124/4885ALDH1A1 2250/4885ALOX15 4033/4885

“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.