SCHEMBL4945503

SCHEMBL4945503

CCCCCc1ccc(CCCCC)c2nsnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ ALOX5 P09917 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ LIPG Q9Y5X9 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ ELANE P08246 1/20 0.36
▸ CTSG P08311 1/20 0.36
▸ ESR1 P03372 2/20 0.35
▸ ADRA2A P08913 2/20 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
SCHEMBL22359954 0.94 TYR (0.43) TYRTDP1ALOX5TP53CYP3A4
SCHEMBL28957583 0.82 MEN1 (0.47) ALOX5MEN1MAPTTSHRKMT2A
SCHEMBL19629927 0.77 CHRM1 (0.40) TYRTDP1ALOX5TP53CYP3A4
SCHEMBL18386357 0.77 CHRM1 (0.40) TYRTDP1ALOX5TP53CYP3A4
SCHEMBL19116363 0.76 GCGR (0.36) TYRTDP1ALOX5TP53CYP3A4
SCHEMBL21297541 0.76 CHRM1 (0.39) TYRTDP1ALOX5TP53CYP3A4
SCHEMBL18531246 0.76 CHRM1 (0.39) TYRTDP1ALOX5TP53CYP3A4
SCHEMBL18843387 0.75 ALOX5 (0.37) TYRTDP1ALOX5TP53CYP3A4
SCHEMBL19116270 0.73 ALOX5 (0.36) TYRTDP1ALOX5TP53CYP3A4
SCHEMBL15502145 0.73 LIPG (0.34) TYRTDP1ALOX5TP53CYP3A4

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-8283052-B2 Quinoxaline derivative excellent in electron-transporting property and very effective as an electron-transporting material in a light-emitting element and the like SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-10-09 — — US disclosed
US-20080193794-A1 Quinoxaline Derivative, Light-Emitting Element, Light-Emitting Device, and Electronic Appliance SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2008-08-14 — — 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-20080193794-A1 Quinoxaline Derivative, Light-Emitting Element, Light-Emitting Device, and Electronic Appliance SLC35E1, SLC1A2, ATP1A2 TYR 1104/4885TDP1 2210/4885ALOX5 2527/4885

“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.

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