SCHEMBL20879650

SCHEMBL20879650

CCOc1ccc(P(O)c2ccc(OCC)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.64
TDP1 Q9NUW8 2/20 0.52
TSHR P16473 1/20 0.52
LTA4H P09960 2/20 0.52
MAPT P10636 3/20 0.52
POLB P06746 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.48
PARP10 Q53GL7 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
ADRA2A P08913 2/20 0.47
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.46
PLK1 P53350 1/20 0.46

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
SCHEMBL21111781 0.90 LTA4H (0.55) NQO1TDP1TSHRLTA4HMAPT
SCHEMBL8384676 0.86 NQO1 (0.64) NQO1TDP1TSHRLTA4HMAPT
SCHEMBL431054 0.81 NQO1 (0.70) NQO1TDP1TSHRLTA4HMAPT
1,4-Diethoxybenzene SCHEMBL28186701 0.80 NQO1 (1.00) NQO1TDP1TSHRLTA4HMAPT
1,4-Diethoxybenzene SCHEMBL124015 0.80 NQO1 (1.00) NQO1TDP1TSHRLTA4HMAPT
SCHEMBL21389876 0.77 NQO1 (0.64) NQO1TDP1TSHRLTA4HMAPT
SCHEMBL11213735 0.77 NQO1 (0.64) NQO1TDP1TSHRLTA4HMAPT
SCHEMBL8389216 0.77 NQO1 (0.64) NQO1TDP1TSHRLTA4HMAPT
SCHEMBL6545122 0.77 NQO1 (0.64) NQO1TDP1TSHRLTA4HMAPT
SCHEMBL2154534 0.77 NQO1 (0.64) NQO1TDP1TSHRLTA4HPOLB

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
EP-3832763-A1 POSITIVE ELECTRODE ACTIVE MATERIAL FOR MAGNESIUM BATTERIES FUJIFILM Wako Pure Chemical Corporation (JP) 2021-06-09 EP disclosed
US-10862169-B2 Phosphorus electrolytic solution containing magnesium ions FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2020-12-08 US disclosed
US-20190296396-A1 PHOSPHORUS ELECTROLYTIC SOLUTION CONTAINING MAGNESIUM IONS FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-09-26 US disclosed
EP-3467931-A1 PHOSPHORUS ELECTROLYTIC SOLUTION CONTAINING MAGNESIUM IONS FUJIFILM Wako Pure Chemical Corporation (JP) 2019-04-10 EP 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 (2 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-10862169-B2 Phosphorus electrolytic solution containing magnesium ions PEF1, RER1, AFF1 NQO1 4167/4885TDP1 2478/4885TSHR 748/4885
US-20190296396-A1 PHOSPHORUS ELECTROLYTIC SOLUTION CONTAINING MAGNESIUM IONS PEF1, RER1, AFF1 NQO1 4167/4885TDP1 2478/4885TSHR 748/4885

“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.