SCHEMBL21363958

SCHEMBL21363958

Cc1cccc(C)c1-c1cncc(-c2c3ccccc3c(-c3cncc(-c4c(C)cccc4C(C)C)c3)c3ccccc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
DHFR P00374 1/20 0.34
ADRA2A P08913 6/20 0.33
ADRA2B P18089 6/20 0.33
ADRA2C P18825 6/20 0.33
ADRA1A P35348 5/20 0.33
ADRA1B P35368 4/20 0.33
ADRA1D P25100 3/20 0.33
KCNH2 Q12809 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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 0.87 CYP2A6 (0.39) LMNAALDH1A1ALOX5APFEN1CYP1A2
SCHEMBL21363961 0.77 GABRA1 (0.38) LMNAALDH1A1ALOX5APCYP1A2CYP2A6
SCHEMBL21364025 0.75 S1PR4 (0.36) LMNAALDH1A1ALOX15ALOX5APFEN1
SCHEMBL21363955 0.75 NOS3 (0.37) LMNATSHRALDH1A1ALOX5APFEN1
SCHEMBL21364096 0.74 ALOX5AP (0.41) LMNATSHRALDH1A1ALOX15ALOX5AP
SCHEMBL14877377 0.71 LMNA (0.50) LMNATSHRALDH1A1ALOX15KCNH2
SCHEMBL21476134 0.70 CYP2A6 (0.50) HTR7CYP2A6
SCHEMBL3365805 0.69 MEN1 (0.44) CYP2A6
SCHEMBL12345157 0.68 MKNK1 (0.50) ALDH1A1
SCHEMBL27264144 0.67 CYP1A2 (0.44) LMNATSHRALDH1A1ALOX15HSP90AA1

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 LMNA 639/4885TSHR 4188/4885ALDH1A1 515/4885
US-20190288216-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE LEF1, SLC25A21, EMC2 LMNA 639/4885TSHR 4188/4885ALDH1A1 515/4885

“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.