SCHEMBL10125878

SCHEMBL10125878

CC(C)Cc1ccc(CC(C)C)c2oc(-c3ccc(-c4ccc(-c5nc6ccccc6nc5-c5ccccc5)cc4)cc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
DHODH Q02127 1/20 0.40
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 6/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
ELANE P08246 1/20 0.36
HPGD P15428 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL10126046 0.97 TDP1 (0.38) TDP1DHODHALDH1A1KDM4EL3MBTL1
SCHEMBL10125863 0.85 DHODH (0.45) TDP1DHODHALDH1A1KDM4EL3MBTL1
SCHEMBL10125874 0.83 MTNR1A (0.43) TDP1DHODHALDH1A1KDM4EL3MBTL1
SCHEMBL13621041 0.82 ALDH1A1 (0.41) DHODHALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL10125873 0.81 MTNR1A (0.45) TDP1DHODHALDH1A1KDM4EL3MBTL1
SCHEMBL10125891 0.80 KDM4E (0.45) TDP1ALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL10126045 0.78 ESR1 (0.46) TDP1DHODHALDH1A1KDM4EL3MBTL1
SCHEMBL10125866 0.78 TDP1 (0.44) TDP1DHODHALDH1A1KDM4EL3MBTL1
SCHEMBL10126048 0.76 ESR1 (0.41) TDP1DHODHALDH1A1KDM4EL3MBTL1
SCHEMBL10125869 0.76 TDP1 (0.40) TDP1DHODHALDH1A1KDM4EL3MBTL1

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 2 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-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 TDP1 2069/4885DHODH 571/4885ALDH1A1 345/4885

“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.