SCHEMBL13487604

SCHEMBL13487604

CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4cncnc4)c4ccc(-c5cccc6ccccc56)cc34)ccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.33
MCL1 Q07820 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 1/20 0.31
CHRNB1 P11230 2/20 0.31
CHRNB2 P17787 2/20 0.31
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
TNF P01375 1/20 0.31
CHRNA1 P02708 1/20 0.31
CHRNG P07510 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
SCHEMBL13487979 0.94 ENPP3 (0.34) PDK2MCL1ACMSDENPP3ENPP1
SCHEMBL13487603 0.89 KDM4E (0.41) PDK2CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL13487180 0.89 PDK2 (0.38) PDK2MCL1ACMSDENPP3ENPP1
SCHEMBL13487665 0.89 CYP11B2 (0.36) PDK2CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL13487606 0.88 S1PR1 (0.33) MCL1ACMSDENPP3ENPP1CHRNB1
SCHEMBL13487599 0.88 MAPK11 (0.38) PDK2MCL1ACMSDENPP3ENPP1
SCHEMBL13487518 0.88 ATM (0.36) PDK2CYP1A2CYP3A4MAPK1
SCHEMBL13487797 0.88 PDK2 (0.36) PDK2
SCHEMBL13487605 0.86 CCNT1 (0.33) MCL1ACMSDENPP3ENPP1TNF
SCHEMBL13487600 0.86 HTR2C (0.36) MCL1ACMSDENPP3ENPP1CHRNB1

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 PDK2 1456/4885MCL1 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.