SCHEMBL10125877

SCHEMBL10125877

CC(C)(C)c1ccc(C(C)(C)C)c2oc(-c3ccc(-c4ccc(-c5nc6ccccc6nc5-c5ccccc5)cc4)cc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.46
AKT2 P31751 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
DHODH Q02127 1/20 0.42
KDM4E B2RXH2 6/20 0.41
L3MBTL1 Q9Y468 5/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL10126040 0.97 AKT1 (0.41) AKT1AKT2TDP1DHODHKDM4E
SCHEMBL13621044 0.83 ALDH1A1 (0.44) DHODHKDM4EALDH1A1LMNACYP1A2
SCHEMBL10125885 0.80 NPC1 (0.48) AKT1AKT2TDP1KDM4EL3MBTL1
SCHEMBL10125809 0.80 NPC1 (0.50) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL10125872 0.77 TDP1 (0.51) AKT1AKT2TDP1DHODHKDM4E
SCHEMBL10125814 0.77 NPC1 (0.50) KDM4EALDH1A1NPSR1MEN1KMT2A
SCHEMBL12721712 0.77 NPC1 (0.50) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL12721979 0.77 NPC1 (0.50) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL10125994 0.76 NPC1 (0.52) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL10126058 0.76 ESR1 (0.45) AKT1AKT2TDP1KDM4EL3MBTL1

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 AKT1 3981/4885AKT2 4579/4885TDP1 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.