SCHEMBL56758

SCHEMBL56758

COP(=O)(CCC(C(=O)OCc1ccccc1)N(C=O)OCc1ccc([N+](=O)[O-])cc1)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.38
CTSL P07711 3/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
HTR2A P28223 1/20 0.36
BTN3A1 O00481 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
SCHEMBL56739 0.97 GAA (0.38) ALDH1A1MAPTTDP1GAACTSL
SCHEMBL56269 0.95 TDP1 (0.40) ALDH1A1MAPTTDP1CTSLATM
SCHEMBL56583 0.92 RAB9A (0.41) MAPTATMMEN1KMT2ARAB9A
SCHEMBL56833 0.91 TDP1 (0.41) ALDH1A1MAPTTDP1GAACTSL
SCHEMBL57115 0.87 ATM (0.39) ALDH1A1GAAATMMEN1KMT2A
SCHEMBL56408 0.86 BTN3A1 (0.37) MAPTGAAMEN1KMT2ABTN3A1
SCHEMBL56935 0.85 ALDH1A1 (0.41) ALDH1A1MAPTBTN3A1
SCHEMBL56466 0.85 TP53 (0.41) MAPTMEN1KMT2ABTN3A1
SCHEMBL57135 0.84 MAPT (0.41) ALDH1A1MAPTTDP1GAAATM
SCHEMBL56614 0.83 MAOB (0.37) MAPTTDP1CTSLMEN1KMT2A

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 ALDH1A1 1716/4885MAPT 4437/4885TDP1 1759/4885

“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.