SCHEMBL21364096

SCHEMBL21364096

Cc1ccccc1-c1cncc(-c2c3ccccc3c(-c3cncc(-c4ccccc4C)c3)c3ccccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
TRPA1 O75762 1/20 0.41
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNB3 Q05901 1/20 0.40
ADORA2A P29274 1/20 0.39
ALPL P05186 2/20 0.39
MAPK14 Q16539 2/20 0.39
LCK P06239 1/20 0.39
KDR P35968 1/20 0.39
JAK3 P52333 1/20 0.39
TSHR P16473 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPY5R Q15761 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL21364075 0.86 TGFBR1 (0.45) ALOX5APFEN1TRPA1CHRNB1CHRNB2
SCHEMBL21363954 0.85 CYP2A6 (0.39) ALOX5APFEN1ADORA2AKDM4EHPGD
SCHEMBL21364025 0.83 S1PR4 (0.36) ALOX5APFEN1ADORA2ANPC1RAB9A
SCHEMBL12104804 0.79 CYP2A6 (0.55) TRPA1CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL5109073 0.76 CYP2A6 (0.51) TRPA1CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL3399384 0.76 LCK (0.46) ALOX5APFEN1TRPA1CHRNB1CHRNB2
SCHEMBL21363955 0.76 NOS3 (0.37) ALOX5APFEN1TSHRSMN1; SMN2KDM4E
SCHEMBL19970452 0.75 KDM4E (0.43) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL12345157 0.75 MKNK1 (0.50) CHRNB2CHRNB4CHRNA3ALDH1A1
SCHEMBL21363958 0.74 LMNA (0.39) ALOX5APFEN1TSHRCYP1A2CYP3A4

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 ALOX5AP 3935/4885FEN1 2358/4885TRPA1 63/4885
US-20190288216-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE LEF1, SLC25A21, EMC2 ALOX5AP 3935/4885FEN1 2358/4885TRPA1 63/4885

“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.