SCHEMBL2255757

SCHEMBL2255757

c1ccc(P(c2ccccc2)(C2CCCCC2)(C2CCCCC2)C2CCCCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.37
EPHX1 P07099 1/20 0.37
EPHX2 P34913 2/20 0.36
POLB P06746 1/20 0.34
SLC18A3 Q16572 1/20 0.34
IDO1 P14902 1/20 0.34
G6PC1 P35575 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
PAX8 Q06710 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL11571042 0.77 EPHX2 (0.37) HPGDEPHX1EPHX2POLBSLC18A3
SCHEMBL1726118 0.77 ALDH1A1 (0.39) HPGDEPHX1EPHX2IDO1ALDH1A1
SCHEMBL1727487 0.77 EPHX1 (0.39) HPGDEPHX1EPHX2ALDH1A1KDM4E
SCHEMBL16706214 0.77 HPGD (0.35) HPGDEPHX1EPHX2POLBSLC18A3
SCHEMBL29207933 0.77 EPHX1 (0.39) HPGDEPHX1EPHX2ALDH1A1KDM4E
SCHEMBL23563765 0.77 EPHX2 (0.37) HPGDEPHX1EPHX2ALDH1A1KDM4E
SCHEMBL5723428 0.77 EPHX2 (0.42) HPGDEPHX1EPHX2ALDH1A1MEN1
SCHEMBL5723573 0.74 EPHX2 (0.39) HPGDEPHX1EPHX2ALDH1A1MEN1
SCHEMBL14605257 0.74 EPHX2 (0.36) HPGDEPHX1EPHX2ALDH1A1MEN1
SCHEMBL17299168 0.73 KDM4E (0.39) HPGDSLC18A3ALDH1A1KDM4EMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1930329-B1 1,3,5-TRIAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING SAME AS COMPONENT TOSOH CORP (JP) 2012-10-24 EP disclosed
CN-101248058-B 1, 3, 5-triazine derivative, method for producing the same and organic electroluminescent device comprising the same as constituent TOSOH CORP 2012-05-09 CN disclosed
US-7994316-B2 1,3,5-triazine derivative, production method thereof and organic electroluminescence device comprising this as a composing component TOSOH CORPORATION (JP) 2011-08-09 US disclosed
US-20090281311-A1 1,3,5-TRIAZINE DERIVATIVE, PRODUCTION METHOD THEREOF AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THIS AS A COMPOSING COMPONENT TOSOH CORPORATION (JP) 2009-11-12 US disclosed
CN-101248058-A 1, 3, 5-triazine derivative, method for producing the same and organic electroluminescent device comprising the same as constituent TOSOH CORP (JP) 2008-08-20 CN disclosed
EP-1930329-A1 1,3,5-TRIAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING SAME AS COMPONENT Tosoh Corporation (JP) 2008-06-11 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 (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-20090281311-A1 1,3,5-TRIAZINE DERIVATIVE, PRODUCTION METHOD THEREOF AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THIS AS A COMPOSING COMPONENT KCNJ2, KCNA4, KCNJ4 HPGD 4270/4885EPHX1 2819/4885EPHX2 3004/4885

“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.