SCHEMBL10126046

SCHEMBL10126046

CC(C)Cc1ccc(CC(C)C)c2oc(-c3ccc(-c4ccc(-c5nc6ccccc6nc5-c5ccc(-c6ccc(-c7nc8c(CC(C)C)ccc(CC(C)C)c8o7)cc6)cc5)cc4)cc3)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
DHODH Q02127 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 6/20 0.36
GAA P10253 2/20 0.36
MAPK14 Q16539 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
KDM4E B2RXH2 5/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ELANE P08246 1/20 0.35
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.33
HSD17B10 Q99714 2/20 0.33

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
SCHEMBL10125878 0.97 TDP1 (0.42) TDP1DHODHSMN1; SMN2ALDH1A1GAA
SCHEMBL10125863 0.82 DHODH (0.45) TDP1DHODHSMN1; SMN2ALDH1A1GAA
SCHEMBL10125874 0.80 MTNR1A (0.43) TDP1DHODHSMN1; SMN2ALDH1A1GAA
SCHEMBL10126045 0.80 ESR1 (0.46) TDP1DHODHALDH1A1MTNR1AMTNR1B
SCHEMBL13621041 0.80 ALDH1A1 (0.41) DHODHSMN1; SMN2ALDH1A1GAAMTNR1A
SCHEMBL10126048 0.78 ESR1 (0.41) TDP1DHODHSMN1; SMN2ALDH1A1MTNR1A
SCHEMBL10125873 0.78 MTNR1A (0.45) TDP1DHODHSMN1; SMN2ALDH1A1GAA
SCHEMBL835094 0.77 RAB9A (0.33) TDP1SMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL10125891 0.77 KDM4E (0.45) TDP1SMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL10126050 0.76 ESR1 (0.42) TDP1DHODHSMN1; SMN2ALDH1A1GAA

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 571/4885SMN1; SMN2 3688/4885

“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.