SCHEMBL13276249

SCHEMBL13276249

O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccccn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.47
KDM4E B2RXH2 4/20 0.46
CYP1A2 P05177 2/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
METAP1 P53582 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
DOHH Q9BU89 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
TRPV1 Q8NER1 2/20 0.44
DHODH Q02127 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL17451985 0.93 CYP2A6 (0.46) CYP2A6KDM4ECYP1A2LMNAPOLB
SCHEMBL19009598 0.92 KDM4E (0.47) CYP2A6KDM4ECYP1A2LMNAPOLB
SCHEMBL17403758 0.91 CYP2A6 (0.43) CYP2A6KDM4ECYP1A2LMNAPOLB
SCHEMBL17451936 0.88 KDM4E (0.45) CYP2A6KDM4ECYP1A2LMNADHODH
SCHEMBL17403759 0.85 DHODH (0.40) CYP2A6KDM4ECYP1A2LMNAPOLB
SCHEMBL13275841 0.84 CYP2A6 (0.47) CYP2A6KDM4ECYP1A2LMNAPOLB
SCHEMBL17403760 0.82 KAT6A (0.43) CYP2A6KDM4ELMNADHODHALDH1A1
SCHEMBL13171472 0.82 SMO (0.52) LMNA
SCHEMBL19342205 0.82 KDM4E (0.48) CYP2A6KDM4ECYP1A2LMNAPOLB
SCHEMBL750061 0.82 KDM4E (0.62) CYP2A6KDM4ECYP1A2LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120261651-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND NOVEL ALCOHOL-SOLUBLE PHOSPHORESCENT MATERIAL DAIDEN CO., LTD. (JP) 2012-10-18 US disclosed
US-20120261651-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND NOVEL ALCOHOL-SOLUBLE PHOSPHORESCENT MATERIAL DAIDEN CO., LTD. (JP) 2012-10-18 US disclosed
US-20120261651-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND NOVEL ALCOHOL-SOLUBLE PHOSPHORESCENT MATERIAL DAIDEN CO., LTD. (JP) 2012-10-18 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-20120261651-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND NOVEL ALCOHOL-SOLUBLE PHOSPHORESCENT MATERIAL SELENOI, L1CAM, ADH1C CYP2A6 3640/4885KDM4E 1826/4885CYP1A2 2998/4885

“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.