SCHEMBL56887

SCHEMBL56887

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
AKR1C3 P42330 1/20 0.33
EPOR P19235 1/20 0.33
BTN3A1 O00481 1/20 0.33
P2RY10 O00398 4/20 0.33
FDFT1 P37268 1/20 0.33
CYP2D6 P10635 1/20 0.33
ELANE P08246 2/20 0.33
PRTN3 P24158 2/20 0.33
CASP1 P29466 1/20 0.33
GAA P10253 1/20 0.32
GPR174 Q9BXC1 3/20 0.32
GPR34 Q9UPC5 1/20 0.32
FFAR1 O14842 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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 0.92 L3MBTL1 (0.37) L3MBTL1EPORBTN3A1ELANEPRTN3
SCHEMBL56935 0.84 ALDH1A1 (0.41) L3MBTL1EPORBTN3A1ELANEPRTN3
SCHEMBL56583 0.84 RAB9A (0.41)
SCHEMBL57115 0.84 ATM (0.39) BTN3A1ELANEPRTN3GAA
SCHEMBL56408 0.83 BTN3A1 (0.37) BTN3A1ELANEPRTN3GAA
SCHEMBL56466 0.83 TP53 (0.41) L3MBTL1BTN3A1ELANEPRTN3
SCHEMBL57135 0.82 MAPT (0.41) L3MBTL1BTN3A1ELANEPRTN3GAA
SCHEMBL56758 0.81 ALDH1A1 (0.39) BTN3A1GAATDP1
SCHEMBL56920 0.80 MMP2 (0.37) BTN3A1ELANEPRTN3
SCHEMBL56614 0.80 MAOB (0.37) L3MBTL1BTN3A1ELANEPRTN3TDP1

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 3435/4885AKR1C3 230/4885EPOR 1000/4885

“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.