SCHEMBL4381329

SCHEMBL4381329

CP(=O)(On1c2ccccc2c2ccccc21)On1c2ccccc2c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.44
▸ POLB P06746 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ALKBH5 Q6P6C2 1/20 0.34
▸ FTO Q9C0B1 1/20 0.34
▸ PTGER4 P35408 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
SCHEMBL13168704 0.86 GPR3 (0.40) GPR3POLBSMN1; SMN2CYP1A2CYP2C19
SCHEMBL4381332 0.86 POLB (0.42) GPR3POLBSMN1; SMN2CYP1A2CYP2C19
SCHEMBL13186074 0.81 GPR3 (0.38) GPR3POLBSMN1; SMN2CYP1A2CYP2C19
SCHEMBL1408375 0.72 SMN1; SMN2 (0.56) GPR3POLBSMN1; SMN2CYP1A2CYP2C19
SCHEMBL17394563 0.71 GPR3 (0.50) GPR3POLBSMN1; SMN2CYP1A2CYP2C19
SCHEMBL13212785 0.68 CYP1A2 (0.52) GPR3POLBCYP1A2CYP2C19KDM4E
SCHEMBL1906715 0.68 POLB (0.55) GPR3POLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL12150652 0.67 GPR3 (0.46) GPR3POLBSMN1; SMN2CYP1A2CYP2C19
SCHEMBL19583449 0.67 GPR3 (0.46) GPR3POLBSMN1; SMN2CYP1A2CYP2C19
SCHEMBL8804817 0.66 TSHR (0.50) POLBSMN1; SMN2CYP1A2NPSR1ATM

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 GPR3 48/4885POLB 2167/4885SMN1; SMN2 1998/4885

“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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