SCHEMBL12792062

SCHEMBL12792062

O=P(c1ccccc1)(c1ccccc1)n1c2ccccc2c2ccc3c4ccccc4n(P(=O)(c4ccccc4)c4ccccc4)c3c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CA2 P00918 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA5A P35218 1/20 0.34
▸ GPR3 P46089 1/20 0.34
▸ ALKBH5 Q6P6C2 1/20 0.34
▸ FTO Q9C0B1 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ FABP4 P15090 2/20 0.33
▸ FABP5 Q01469 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ FABP3 P05413 1/20 0.33
▸ CYP19A1 P11511 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
SCHEMBL12792112 0.89 KDM4E (0.49) NPSR1KDM4EATML3MBTL1CYP1A2
SCHEMBL23431347 0.88 NPSR1 (0.44) NPSR1KDM4EATML3MBTL1CA2
SCHEMBL12792019 0.84 NPSR1 (0.34) NPSR1KDM4EATML3MBTL1ALDH1A1
SCHEMBL12792049 0.81 NPSR1 (0.40) NPSR1KDM4EATML3MBTL1CA2
SCHEMBL12792053 0.81 KDM4E (0.47) NPSR1KDM4EATML3MBTL1POLB
SCHEMBL12792024 0.81 NPSR1 (0.37) NPSR1KDM4EATML3MBTL1
SCHEMBL12792066 0.79 L3MBTL1 (0.32) NPSR1KDM4EL3MBTL1ALDH1A1MEN1
SCHEMBL30122564 0.76 NPSR1 (0.44) NPSR1KDM4EATML3MBTL1CA2
SCHEMBL7191466 0.75 NPSR1 (0.45) NPSR1KDM4EL3MBTL1CA2CA4
SCHEMBL16447094 0.75 NPSR1 (0.42) NPSR1KDM4EATML3MBTL1POLB

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-20110057184-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL CO., LTD. (JP) 2011-03-10 — — US disclosed
US-20110057184-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL CO., LTD. (JP) 2011-03-10 — — 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-20110057184-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE LAS1L, EML4, OXA1L NPSR1 4771/4885KDM4E 2598/4885ATM 2091/4885

“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.

Send feedback