SCHEMBL4381332

SCHEMBL4381332

CP(=O)(O)On1c2ccccc2c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ GPR3 P46089 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ FABP3 P05413 1/20 0.34
▸ FABP4 P15090 1/20 0.34
▸ FABP5 Q01469 1/20 0.34
▸ NR4A2 P43354 1/20 0.34
▸ TSPO P30536 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ AGER Q15109 1/20 0.34
▸ ERCC1 P07992 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ ERCC4 Q92889 1/20 0.33

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
SCHEMBL4381329 0.86 GPR3 (0.44) POLBGPR3KDM4ELMNAMAPT
SCHEMBL13168704 0.81 GPR3 (0.40) POLBGPR3KDM4ELMNAMAPT
SCHEMBL13186074 0.76 GPR3 (0.38) POLBGPR3KDM4ELMNAMAPT
SCHEMBL30660066 0.69 POLB (0.45) POLBGPR3KDM4ELMNAMAPT
SCHEMBL1906715 0.68 POLB (0.55) POLBGPR3KDM4ELMNAMAPT
SCHEMBL1408375 0.68 SMN1; SMN2 (0.56) POLBGPR3KDM4EMAPTHTT
SCHEMBL19583449 0.68 GPR3 (0.46) POLBGPR3KDM4ELMNAMAPT
SCHEMBL17394563 0.67 GPR3 (0.50) POLBGPR3KDM4EMAPTHTT
SCHEMBL27190199 0.65 POLB (0.42) POLBGPR3KDM4ELMNAMAPT
SCHEMBL9678983 0.65 POLB (0.47) POLBGPR3KDM4ELMNAMAPT

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
US-7629379-B2 Substituted phosphonate fluorescent sensors and use thereof QUEEN MARY & WESTFIELD COLLEGE (GB) 2009-12-08 — — US disclosed
US-20070049761-A1 Substituted phosphonate fluorescent sensors and use thereof QUEEN MARY & WESTFIELD COLLEGE (GB) 2007-03-01 — — US disclosed
EP-1625134-A2 SUBSTITUTED PHOSPHONATE FLUORESCENT SENSORS AND USE THEREOF QUEEN MARY & WESTFIELD COLLEGE (GB) 2006-02-15 — — EP disclosed
WO-2004101579-A2 SUBSTITUTED PHOSPHONATE FLUORESCENT SENSORS AND USE THEREOF QUEEN MARY & WESTFIELD COLLEGE (GB) 2004-11-25 — — WO 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-20070049761-A1 Substituted phosphonate fluorescent sensors and use thereof NR2E3, CASR, NR3C2 POLB 2167/4885GPR3 48/4885KDM4E 4496/4885

“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.

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