SCHEMBL13488190

SCHEMBL13488190

CN1c2ccccc2CCc2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc34)cc21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.32
PDK2 Q15119 1/20 0.32
HSD17B3 P37058 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30
ADRA2A P08913 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
CHRM3 P20309 1/20 0.30
DRD5 P21918 1/20 0.30
HRH2 P25021 1/20 0.30
ADRA1D P25100 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL13487821 0.97 CHEK1 (0.31) CHEK1PDK2HSD17B3
SCHEMBL13487946 0.97 HSD17B3 (0.36) CHEK1PDK2HSD17B3
SCHEMBL13488102 0.94 AKT1 (0.35) CYP11B1CYP11B2
SCHEMBL13487420 0.94 HTR1A (0.31) HTR1ACHRM5ADRA2ACHRM1DRD2
SCHEMBL13488172 0.94 CHEK1 (0.32) CHEK1PDK2
SCHEMBL13487864 0.93 PDK2 (0.32) PDK2
SCHEMBL13488286 0.93 PDK2 (0.32) PDK2
SCHEMBL13488023 0.92 CYP11B1 (0.36) CYP11B1CYP11B2
SCHEMBL13487769 0.91 CHEK1 (0.31) CHEK1PDK2
SCHEMBL13487940 0.91 PDK2 (0.33) CHEK1PDK2HSD17B3HTR2AHTR2C

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 CHEK1 4787/4885PDK2 1456/4885HSD17B3 1499/4885

“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.