SCHEMBL4423913

SCHEMBL4423913

CCCCCc1ccc(CCCCC)c(N)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.48
CYP3A4 P08684 3/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 2/20 0.48
ALOX5 P09917 2/20 0.48
MEN1 O00255 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TLR8 Q9NR97 1/20 0.46
LIPG Q9Y5X9 1/20 0.45
HTR2A P28223 1/20 0.45
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL840920 0.92 TYR (0.48) TYRCYP3A4MAPTTP53ALOX5
SCHEMBL9027471 0.91 TYR (0.43) TYRCYP3A4MAPTTP53ALOX5
SCHEMBL28193225 0.89 TYR (0.44) TYRCYP3A4MAPTTP53ALOX5
SCHEMBL28306596 0.88 TYR (0.47) TYRCYP3A4MAPTTP53ALOX5
SCHEMBL11384230 0.86 ALOX5 (0.40) TYRCYP3A4MAPTTP53ALOX5
SCHEMBL728554 0.86 LIPG (0.52) MAPTALOX5ALOX15TLR8LIPG
SCHEMBL3957214 0.84 LIPG (0.55) MAPTALOX5ALOX15TLR8LIPG
SCHEMBL7933000 0.84 LIPG (0.55) MAPTALOX5ALOX15TLR8LIPG
SCHEMBL27671384 0.83 TYR (0.47) TYRCYP3A4MAPTTP53ALOX5
SCHEMBL3664909 0.83 TYR (0.43) TYRCYP3A4MAPTTP53ALOX5

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-8187730-B2 Acenaphthoquinoxaline derivative, light-emitting element, light-emitting device, and electronic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-29 US disclosed
US-20090243476-A1 Acenaphthoquinoxaline Derivative, Light-Emitting Element, Light-Emitting Device, and Electronic Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-10-01 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-20090243476-A1 Acenaphthoquinoxaline Derivative, Light-Emitting Element, Light-Emitting Device, and Electronic Device ACE, ACE2, NQO1 TYR 382/4885CYP3A4 131/4885MAPT 3114/4885

“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.