SCHEMBL13487598

SCHEMBL13487598

CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5ccc6cccnc6c5n4)c4ccc(-c5cccc6ccccc56)cc34)ccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.33
AVPR2 P30518 1/20 0.33
AVPR1A P37288 1/20 0.33
HTR2C P28335 4/20 0.32
HTR2A P28223 2/20 0.32
HTR2B P41595 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
CCR1 P32246 3/20 0.32
CCR8 P51685 3/20 0.32

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
SCHEMBL13487975 0.95 AVPR2 (0.34) BACE1AVPR2AVPR1AHTR2CHTR2A
SCHEMBL13487719 0.92 CCR1 (0.33) BACE1AVPR2AVPR1AHTR2CHTR2A
SCHEMBL13487510 0.91 L3MBTL1 (0.32) BACE1HTR2CHTR2AHTR2BL3MBTL1
SCHEMBL13487653 0.91 CYP17A1 (0.33) BACE1HTR2CHTR2AHTR2BL3MBTL1
SCHEMBL13487440 0.90 CCR1 (0.34) BACE1HTR2CHTR2AHTR2BL3MBTL1
SCHEMBL13487173 0.90 CCR1 (0.32) BACE1AVPR2AVPR1AHTR2CHTR2A
SCHEMBL13488118 0.89 CCR1 (0.34) BACE1AVPR2AVPR1AHTR2CHTR2A
SCHEMBL13487594 0.88 HTR2C (0.41) HTR2CHTR2AKDM4EMAPTNPC1
SCHEMBL13488047 0.87 CYP17A1 (0.33) L3MBTL1KDM4EMAPTTDP1MEN1
SCHEMBL13487895 0.87 PDK2 (0.33) L3MBTL1KDM4EMAPTTDP1MEN1

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 3 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
EP-2108689-A2 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-10-14 EP 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 BACE1 1365/4885AVPR2 2810/4885AVPR1A 3566/4885

“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.