SCHEMBL21363955

SCHEMBL21363955

CCc1cccc(C)c1-c1cncc(-c2c3ccccc3c(-c3cncc(-c4c(C)cccc4CC)c3)c3ccccc23)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
SCN2A Q99250 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
DHFR P00374 1/20 0.35
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
ACACA Q13085 2/20 0.33
CD38 P28907 1/20 0.33
MAPT P10636 4/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 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
SCHEMBL21363954 0.85 CYP2A6 (0.39) ALOX5APFEN1KDM4ELMNAHTT
SCHEMBL21364096 0.76 ALOX5AP (0.41) ALOX5APFEN1KDM4ELMNAALDH1A1
SCHEMBL21363961 0.75 GABRA1 (0.38) ALOX5APKDM4ELMNAHTTALDH1A1
SCHEMBL21363958 0.75 LMNA (0.39) ALOX5APFEN1DHFRLMNAALDH1A1
SCHEMBL21364025 0.74 S1PR4 (0.36) ALOX5APFEN1KDM4ELMNAMAPT
SCHEMBL15255169 0.71 TLR8 (0.40) DHFRKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL12345157 0.69 MKNK1 (0.50) ALDH1A1MKNK1MKNK2
SCHEMBL14560718 0.69 ACACA (0.50) DHFRKDM4ELMNAHTTACACA
SCHEMBL19660438 0.68 CYP2A6 (0.44) NOS3NOS1NOS2LMNAALDH1A1
SCHEMBL13604913 0.68 SHBG (0.38) ALOX5APFEN1HTTSMN1; SMN2TSHR

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-11145821-B2 Organic electroluminescence device and polycyclic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2021-10-12 US disclosed
US-20190288216-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-19 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 (2 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-11145821-B2 Organic electroluminescence device and polycyclic compound for organic electroluminescence device LEF1, SLC25A21, EMC2 NOS3 2426/4885NOS1 1211/4885NOS2 1416/4885
US-20190288216-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE LEF1, SLC25A21, EMC2 NOS3 2426/4885NOS1 1211/4885NOS2 1416/4885

“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.