SCHEMBL13430741

SCHEMBL13430741

CC(C)c1cn(-c2ccc(-c3ccc(-n4cc(C(C)C)c5ccccc54)cc3)cc2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.49
HTR7 P34969 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NR4A2 P43354 1/20 0.39
GPR3 P46089 1/20 0.36
RORC P51449 2/20 0.36
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
SCN9A Q15858 5/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL13430732 0.86 KCNH2 (0.48) KCNH2HTR7ALDH1A1KDM4ENR4A2
SCHEMBL13430733 0.83 KCNH2 (0.46) KCNH2HTR7ALDH1A1KDM4ENR4A2
SCHEMBL12260366 0.81 KCNH2 (0.42) KCNH2ALDH1A1KDM4ENR4A2RORC
SCHEMBL13430740 0.79 KDM4E (0.43) KCNH2HTR7ALDH1A1KDM4ENR4A2
SCHEMBL29291154 0.77 HSP90AA1 (0.44) KCNH2
SCHEMBL65417 0.77 HTR7 (0.44) HTR7ALDH1A1KDM4ENR4A2GPR3
SCHEMBL28534559 0.76 KCNH2 (0.50) KCNH2HTR7ALDH1A1KDM4ENR4A2
SCHEMBL29445759 0.75 KCNH2 (0.38) KCNH2HTR7ALDH1A1KDM4ERORC
SCHEMBL13335134 0.75 NR4A2 (0.44) KCNH2HTR7ALDH1A1KDM4ENR4A2
SCHEMBL18976935 0.75 ATP4A (0.50) HTR7ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8337999-B2 Organic electroluminescent device including at least one layer containing an indole derivative UDC IRELAND LIMITED (IE) 2012-12-25 US disclosed
US-8337999-B2 Organic electroluminescent device including at least one layer containing an indole derivative UDC IRELAND LIMITED (IE) 2012-12-25 US disclosed
US-20100060151-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND INDOLE DERIVATIVE FUJIFILM CORPORATION (JP) 2010-03-11 US disclosed
US-20100060151-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND INDOLE DERIVATIVE FUJIFILM CORPORATION (JP) 2010-03-11 US disclosed
US-20100026174-A1 ORGANIC ELECTROLUMINESCENT DEVICE FUJIFILM CORPORATION (JP) 2010-02-04 US disclosed
US-20100026174-A1 ORGANIC ELECTROLUMINESCENT DEVICE FUJIFILM CORPORATION (JP) 2010-02-04 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-20100060151-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND INDOLE DERIVATIVE IDO1, CHRM1, L1CAM KCNH2 52/4885HTR7 674/4885ALDH1A1 64/4885

“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.