SCHEMBL4398075

SCHEMBL4398075

CCOc1ccc([N]c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.61
NQO1 P15559 1/20 0.58
RELA Q04206 1/20 0.55
ADRA2A P08913 3/20 0.53
KDM4E B2RXH2 4/20 0.50
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GAA P10253 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA10 Q9GZZ6 1/20 0.47
CHRNA9 Q9UGM1 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 2/20 0.46

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
SCHEMBL4401293 0.91 NQO1 (0.70) LTA4HNQO1RELAADRA2AKDM4E
SCHEMBL1405297 0.88 LTA4H (0.61) LTA4HNQO1RELAADRA2AKDM4E
SCHEMBL1405295 0.88 LTA4H (0.61) LTA4HNQO1RELAADRA2AKDM4E
Dimethylamine SCHEMBL11311517 0.82 CHRNA7 (0.55) LTA4HNQO1RELAADRA2AKDM4E
Phenetole SCHEMBL14953853 0.80 LTA4H (0.74) LTA4HNQO1RELAADRA2AKDM4E
Phenetole SCHEMBL14954064 0.80 LTA4H (0.74) LTA4HNQO1RELAADRA2AKDM4E
Diethylamine SCHEMBL9777874 0.80 CHRNA7 (0.53) LTA4HNQO1RELAADRA2AKDM4E
SCHEMBL4398764 0.80 LTA4H (0.64) LTA4HADRA2ATSHRGAAALDH1A1
Phenetole SCHEMBL18492 0.79
Phenetole SCHEMBL10779391 0.79 LTA4H (0.81) LTA4HNQO1RELAKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-7405030-B2 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2008-07-29 US disclosed
EP-1930339-A2 Imide compound MITSUI CHEMICALS, INC. (JP) 2008-06-11 EP disclosed
US-20070259151-A1 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-11-08 US disclosed
US-7259260-B2 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-08-21 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
US-7166240-B2 Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements MITSUI CHEMICALS, INC. (JP) 2007-01-23 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 EP disclosed
US-20050208425-A1 Imide compound and optical recording media made by using the same YAMAMOTO CHEMICALS, INC. (JP) 2005-09-22 US disclosed
US-6929870-B2 Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements MITSUI CHEMICALS, INC. (JP) 2005-08-16 US disclosed
US-20050074631-A1 Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements MITSUI CHEMICALS, INC. (JP) 2005-04-07 US disclosed
EP-1445115-A1 IMIDE COMPOUNDS AND OPTICAL RECORDING MEDIA MADE BY USING THE SAME Mitsui Chemicals, Inc. (JP) 2004-08-11 EP disclosed
US-20030087126-A1 Hydrocarbon compound, material for organic electroluminescent element and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2003-05-08 US disclosed
EP-1221434-A1 HYDROCARBON COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT Mitsui Chemicals, Inc. (JP) 2002-07-10 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 (2 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 LTA4H 2574/4885NQO1 2110/4885RELA 1969/4885
US-20050208425-A1 Imide compound and optical recording media made by using the same CRY1, MTNR1A, TRPA1 LTA4H 4491/4885NQO1 1138/4885RELA 1841/4885

“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.