SCHEMBL57019

SCHEMBL57019

CCCCOP(=O)(CCC(C(=O)OCc1ccccc1)N(C=O)OCc1ccccc1)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRTN3 P24158 2/20 0.39
CETP P11597 4/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ELANE P08246 2/20 0.37
PLA2G2D Q9UNK4 1/20 0.35
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34

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
SCHEMBL57115 0.84 ATM (0.39) PRTN3ALDH1A1TSHRELANE
SCHEMBL56408 0.83 BTN3A1 (0.37) PRTN3ELANE
SCHEMBL56466 0.83 TP53 (0.41) PRTN3L3MBTL1ELANE
SCHEMBL57135 0.82 MAPT (0.41) PRTN3ALDH1A1TSHRMAPK1TDP1
SCHEMBL56935 0.81 ALDH1A1 (0.41) PRTN3ALDH1A1MAPK1L3MBTL1ELANE
SCHEMBL56920 0.80 MMP2 (0.37) PRTN3TSHRELANE
SCHEMBL56614 0.80 MAOB (0.37) PRTN3TDP1L3MBTL1ELANECTSL
SCHEMBL56269 0.80 TDP1 (0.40) ALDH1A1TDP1CTSL
SCHEMBL56739 0.80 GAA (0.38) ALDH1A1TDP1CTSL
SCHEMBL4752515 0.79 ALDH1A1 (0.38) PRTN3ALDH1A1MAPK1TDP1L3MBTL1

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 PRTN3 2011/4885CETP 1528/4885ALDH1A1 1716/4885

“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.