SCHEMBL13487993

SCHEMBL13487993

CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4c5ccccc5nc5ccccc45)c4ccc(-c5cccc6ccccc56)cc34)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
MCL1 Q07820 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
ENPP3 O14638 1/20 0.35
ENPP1 P22413 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FLT3 P36888 3/20 0.33
ACVR1 Q04771 2/20 0.32
NTSR1 P30989 1/20 0.32
BMX P51813 2/20 0.31
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
SLC6A2 P23975 1/20 0.31
CHRNB4 P30926 1/20 0.31
SLC6A4 P31645 1/20 0.31
CHRNA3 P32297 1/20 0.31

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
SCHEMBL13487611 0.93 ESR1 (0.36) ESR1ESR2MCL1ACMSDENPP3
SCHEMBL13488144 0.92 ESR1 (0.38) ESR1ESR2MEN1KMT2ACYP2C9
SCHEMBL13487913 0.90 ESR1 (0.39) ESR1ESR2
SCHEMBL29295617 0.90 MCL1 (0.36) MCL1ACMSDENPP3ENPP1NTSR1
SCHEMBL13487985 0.89 ACACA (0.40) ESR1ESR2MCL1ACMSDENPP3
SCHEMBL13488068 0.89 ESR1 (0.39) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL13487815 0.89 ESR1 (0.35) ESR1ESR2
SCHEMBL13487987 0.89 TDP1 (0.35) MCL1ACMSDENPP3ENPP1MEN1
SCHEMBL13487973 0.88 AR (0.34) MCL1ACMSDENPP3ENPP1MEN1
SCHEMBL13488010 0.88 ENPP1 (0.37) MCL1ACMSDENPP3ENPP1MEN1

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-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-25 US disclosed
US-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-25 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-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 ESR1 803/4885ESR2 765/4885MCL1 2343/4885

“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.