Sugi Predict

Sugi Predict / Compounds / SCHEMBL10126047

SCHEMBL10126047

SCHEMBL10126047

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.36
▸ MAPK14 Q16539 2/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ ALDH1A1 P00352 6/20 0.34
▸ MAPT P10636 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ KDM4E B2RXH2 5/20 0.34
▸ LMNA P02545 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ SELPLG Q14242 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ AKT1 P31749 1/20 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
SCHEMBL10125869 0.98 TDP1 (0.40) TDP1MAPK14DHODHALDH1A1MAPT
SCHEMBL10126050 0.85 ESR1 (0.42) TDP1MAPK14DHODHALDH1A1MAPT
SCHEMBL10125866 0.82 TDP1 (0.44) TDP1DHODHALDH1A1SMN1; SMN2KDM4E
SCHEMBL13621040 0.81 ALDH1A1 (0.40) DHODHALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL10126054 0.78 KDM4E (0.40) MAPK14ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL10125887 0.76 SMN1; SMN2 (0.44) TDP1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL10126046 0.75 TDP1 (0.38) TDP1MAPK14DHODHALDH1A1MAPT
SCHEMBL12722051 0.74 ALDH1A1 (0.40) TDP1MAPK14ALDH1A1MAPTRAB9A
SCHEMBL10125878 0.73 TDP1 (0.42) TDP1DHODHALDH1A1SMN1; SMN2KDM4E
SCHEMBL10125863 0.72 DHODH (0.45) TDP1DHODHALDH1A1MAPTRAB9A

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 TDP1 2069/4885MAPK14 1373/4885DHODH 571/4885

“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.