SCHEMBL13487175

SCHEMBL13487175

CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ncccn4)c4ccc(-c5cccc6ccccc56)cc34)cccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.36
MCL1 Q07820 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
ACVR1 Q04771 3/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 3/20 0.32
HSD17B10 Q99714 3/20 0.32
NPC1 O15118 2/20 0.32
MAPK1 P28482 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CHRNB4 P30926 2/20 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
SCHEMBL13487178 0.91 MCL1 (0.32) MCL1ACMSDENPP3ENPP1S1PR1
SCHEMBL13487275 0.90 SIRT2 (0.34) HTR2CKDM4EALDH1A1MAPTHSD17B10
SCHEMBL13487170 0.90 HTR2C (0.42) HTR2CMCL1ACMSDENPP3ENPP1
SCHEMBL13487600 0.89 HTR2C (0.36) HTR2CMCL1ACMSDENPP3ENPP1
SCHEMBL13487109 0.89 PIK3CA (0.32) ACVR1
SCHEMBL13487983 0.88 HTR2C (0.38) HTR2CMCL1ACMSDENPP3ENPP1
SCHEMBL13487205 0.88 KDM4E (0.36) MCL1ACMSDENPP3ENPP1KDM4E
SCHEMBL13487169 0.88 BCHE (0.34) HTR2CMCL1ACMSDENPP3ENPP1
SCHEMBL13487355 0.88 PDK2 (0.34) HTR2C
SCHEMBL13487174 0.87 MAPK11 (0.38) MCL1ACMSDENPP3ENPP1KDM4E

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 HTR2C 4442/4885MCL1 2343/4885ACMSD 191/4885

“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.