SCHEMBL57868

SCHEMBL57868

COP(=O)(CCC(C(=O)OCc1ccccc1)N(C=O)OCc1ccccc1)Oc1cccc(CC(=O)OCc2ccccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
BTN3A1 O00481 1/20 0.34
EPOR P19235 1/20 0.34
ELANE P08246 2/20 0.33
PRTN3 P24158 2/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
RAB9A P51151 1/20 0.32
PRKCA P17252 1/20 0.31
PRKCD Q05655 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL56887 0.92 L3MBTL1 (0.34) L3MBTL1BTN3A1EPORELANEPRTN3
SCHEMBL56935 0.91 ALDH1A1 (0.41) L3MBTL1ALDH1A1MAPK1BTN3A1EPOR
SCHEMBL56583 0.86 RAB9A (0.41) RAB9A
SCHEMBL57115 0.86 ATM (0.39) ALDH1A1BTN3A1ELANEPRTN3RAB9A
SCHEMBL56408 0.85 BTN3A1 (0.37) BTN3A1ELANEPRTN3
SCHEMBL56466 0.84 TP53 (0.41) L3MBTL1BTN3A1ELANEPRTN3
SCHEMBL57135 0.83 MAPT (0.41) L3MBTL1ALDH1A1MAPK1BTN3A1ELANE
SCHEMBL56758 0.82 ALDH1A1 (0.39) ALDH1A1BTN3A1RAB9A
SCHEMBL56614 0.82 MAOB (0.37) L3MBTL1BTN3A1ELANEPRTN3
SCHEMBL56920 0.82 MMP2 (0.37) BTN3A1ELANEPRTN3

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-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

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 L3MBTL1 3435/4885ALDH1A1 1716/4885MAPK1 1065/4885

“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.