SCHEMBL4378748

SCHEMBL4378748

O=P(O)(O)Cn1c2ccccc2c2ccccc21.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ FABP4 P15090 3/20 0.47
▸ FABP5 Q01469 3/20 0.47
▸ FABP3 P05413 1/20 0.47
▸ BACE1 P56817 2/20 0.47
▸ TSPO P30536 2/20 0.46
▸ CYP19A1 P11511 1/20 0.44
▸ HDAC6 Q9UBN7 3/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ AGER Q15109 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL31240141 0.98 CYP1A2 (0.52) KDM4ECYP1A2CYP2C19FABP4FABP5
SCHEMBL4381323 0.98 CYP1A2 (0.52) KDM4ECYP1A2CYP2C19FABP4FABP5
SCHEMBL13825878 0.89 ALDH1A1 (0.56) KDM4ECYP1A2CYP2C19FABP4FABP5
SCHEMBL25193015 0.78 FABP4 (0.55) KDM4ECYP1A2CYP2C19FABP4FABP5
SCHEMBL13212785 0.78 CYP1A2 (0.52) KDM4ECYP1A2CYP2C19FABP4FABP5
SCHEMBL13825812 0.78 APEX1 (0.52) KDM4EAGERALDH1A1
SCHEMBL3010885 0.76 CYP1A2 (0.50) KDM4ECYP1A2CYP2C19FABP4FABP5
SCHEMBL31742340 0.76 FABP4 (0.57) KDM4ECYP1A2CYP2C19FABP4FABP5
SCHEMBL31233890 0.76 FABP4 (0.57) KDM4ECYP1A2CYP2C19FABP4FABP5
SCHEMBL3218835 0.76 FABP4 (0.57) KDM4ECYP1A2CYP2C19FABP4FABP5

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-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

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 KDM4E 4496/4885CYP1A2 3952/4885CYP2C19 4326/4885

“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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