SCHEMBL56935

SCHEMBL56935

COP(=O)(CCC(C(=O)OCc1ccccc1)N(C=O)OCc1ccccc1)Oc1ccc(CC(=O)OCc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.36
BTN3A1 O00481 1/20 0.35
MAPT P10636 1/20 0.35
LIPE Q05469 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ELANE P08246 2/20 0.34
PRTN3 P24158 2/20 0.34
ALOX5 P09917 3/20 0.34
PRKCA P17252 1/20 0.34
PRKCD Q05655 1/20 0.34
ENPP2 Q13822 1/20 0.33
KLK7 P49862 1/20 0.33
EPOR P19235 1/20 0.33

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
SCHEMBL57868 0.91 L3MBTL1 (0.37) ALDH1A1MAPK1L3MBTL1BTN3A1ELANE
SCHEMBL57115 0.91 ATM (0.39) ALDH1A1BTN3A1ELANEPRTN3
SCHEMBL56408 0.90 BTN3A1 (0.37) BTN3A1MAPTELANEPRTN3
SCHEMBL56466 0.89 TP53 (0.41) L3MBTL1BTN3A1MAPTPPARGPPARA
SCHEMBL57135 0.88 MAPT (0.41) ALDH1A1MAPK1L3MBTL1SMN1; SMN2BTN3A1
SCHEMBL56614 0.87 MAOB (0.37) L3MBTL1BTN3A1MAPTELANEPRTN3
SCHEMBL56920 0.87 MMP2 (0.37) BTN3A1PPARGPPARAELANEPRTN3
SCHEMBL56739 0.86 GAA (0.38) ALDH1A1MAPT
SCHEMBL56758 0.85 ALDH1A1 (0.39) ALDH1A1BTN3A1MAPT
SCHEMBL56887 0.84 L3MBTL1 (0.34) L3MBTL1BTN3A1ELANEPRTN3EPOR

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-2008137446-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF RESPIRATORY DISEASE TRUSTEES OF BOSTON UNIVERSITY (US) 2008-11-13 WO claimed
US-8129557-B2 Phosphonic acid diester derivative and method for producing thereof Nagai, Kazuhiro (JP) 2012-03-06 US disclosed
US-20090163725-A1 PHOSPHONIC ACID DIESTER DERIVATIVE AND METHOD FOR PRODUCING THEREOF HIRATAKE, GOU (JP) 2009-06-25 US disclosed
WO-2008137446-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF RESPIRATORY DISEASE TRUSTEES OF BOSTON UNIVERSITY (US) 2008-11-13 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-20090163725-A1 PHOSPHONIC ACID DIESTER DERIVATIVE AND METHOD FOR PRODUCING THEREOF PPA1, G6PD, PHOSPHO1 ALDH1A1 1716/4885MAPK1 1065/4885L3MBTL1 3435/4885

“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.