SCHEMBL4401293

SCHEMBL4401293

CCOc1ccc([N]c2ccc(OCC)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.70
ADRA2A P08913 2/20 0.61
TDP1 Q9NUW8 2/20 0.56
TSHR P16473 1/20 0.56
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 1/20 0.53
LTA4H P09960 2/20 0.52
SCN1A P35498 1/20 0.52
SCN2A Q99250 1/20 0.52
SCN3A Q9NY46 1/20 0.52
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
PARP10 Q53GL7 1/20 0.47
RELA Q04206 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL4398075 0.91 LTA4H (0.61) NQO1ADRA2ATDP1TSHRKMT2A
SCHEMBL8762872 0.85 NQO1 (0.70) NQO1ADRA2ATDP1TSHRKMT2A
SCHEMBL8762877 0.85 NQO1 (0.70) NQO1ADRA2ATDP1TSHRKMT2A
1,4-Diethoxybenzene SCHEMBL28186701 0.84 NQO1 (1.00) NQO1ADRA2ATDP1TSHRALDH1A1
1,4-Diethoxybenzene SCHEMBL124015 0.84 NQO1 (1.00) NQO1ADRA2ATDP1TSHRALDH1A1
SCHEMBL2090733 0.83 NQO1 (0.67) NQO1ADRA2ATDP1TSHRKMT2A
SCHEMBL5532994 0.81 NQO1 (0.64) NQO1ADRA2ATDP1TSHRKMT2A
SCHEMBL19953032 0.81 NQO1 (0.64) NQO1ADRA2ATDP1TSHRKMT2A
SCHEMBL8588124 0.81 NQO1 (0.64) NQO1ADRA2ATDP1TSHRKMT2A
SCHEMBL8588122 0.81 NQO1 (0.64) NQO1ADRA2ATDP1TSHRKMT2A

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 12 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-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-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 (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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 NQO1 2110/4885ADRA2A 1102/4885TDP1 4127/4885

“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.