SCHEMBL10126050

SCHEMBL10126050

CC(C)c1ccc(C(C)C)c2oc(-c3ccc(-c4ccc(-c5nc6ccccc6nc5-c5ccc(-c6ccc(-c7nc8c(C(C)C)ccc(C(C)C)c8o7)cc6)cc5)cc4)cc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
DHODH Q02127 1/20 0.38
KDM4E B2RXH2 4/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
RAB9A P51151 3/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK10 P53779 2/20 0.34
MAPK14 Q16539 2/20 0.34

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
SCHEMBL10125866 0.97 TDP1 (0.44) ESR1ESR2TDP1DHODHKDM4E
SCHEMBL10126047 0.85 TDP1 (0.36) ESR1ESR2TDP1DHODHKDM4E
SCHEMBL10125869 0.83 TDP1 (0.40) TDP1DHODHKDM4EL3MBTL1ALDH1A1
SCHEMBL13621035 0.78 ALDH1A1 (0.43) ESR1ESR2DHODHKDM4EALDH1A1
SCHEMBL10126046 0.76 TDP1 (0.38) ESR1ESR2TDP1DHODHKDM4E
SCHEMBL10126037 0.76 TDP1 (0.46) TDP1DHODHKDM4EL3MBTL1ALDH1A1
SCHEMBL835209 0.76 TP53 (0.34) ESR1ESR2TDP1KDM4EL3MBTL1
SCHEMBL10126053 0.76 NPC1 (0.46) ESR1ESR2TDP1KDM4EALDH1A1
SCHEMBL10125878 0.74 TDP1 (0.42) TDP1DHODHKDM4EL3MBTL1ALDH1A1
SCHEMBL10125872 0.74 TDP1 (0.51) TDP1DHODHKDM4EL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119259-B2 Quinoxaline derivative, and light-emitting element and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-02-21 US disclosed
US-8119259-B2 Quinoxaline derivative, and light-emitting element and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-02-21 US disclosed
US-20090140642-A1 Quinoxaline Derivative, and Light-Emitting Element and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-06-04 US disclosed
US-20090140642-A1 Quinoxaline Derivative, and Light-Emitting Element and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-06-04 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-20090140642-A1 Quinoxaline Derivative, and Light-Emitting Element and Electronic Device Using the Same NDUFA11, NDUFA9, NDUFA12 ESR1 696/4885ESR2 1796/4885TDP1 2069/4885

“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.