SCHEMBL20089424

SCHEMBL20089424

CC(C)(C)c1cccc(-c2cc(-c3cccnc3)cc(-c3cccnc3)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.64
CYP2A6 P11509 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
MEN1 O00255 1/20 0.51
PSIP1 O75475 1/20 0.51
AXL P30530 1/20 0.51
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
EPHX2 P34913 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
KMO O15229 1/20 0.46
CYP11B1 P15538 5/20 0.46
CYP11B2 P19099 5/20 0.46
CYP19A1 P11511 3/20 0.46
CYP17A1 P05093 2/20 0.46
CYP2C9 P11712 1/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45

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
SCHEMBL2733410 0.96 KIF11 (0.68) KIF11CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL13179001 0.91 KIF11 (0.70) KIF11CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL21363713 0.87 KIF11 (0.54) KIF11CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL23928351 0.87 KIF11 (0.57) KIF11CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL29988950 0.87 KIF11 (0.57) KIF11CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL23928359 0.86 KIF11 (0.69) KIF11CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL24604650 0.85 KIF11 (0.67) KIF11CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL21880902 0.84 KIF11 (0.66) KIF11CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL21881606 0.84 KIF11 (0.66) KIF11CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL21880899 0.84 KIF11 (0.66) KIF11CYP2A6ALDH1A1CYP1A2CYP3A4

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-11011708-B2 Electron transport layer stack for an organic light-emitting diode NOVALED GMBH (DE) 2021-05-18 US disclosed
US-20180114920-A1 Electron Transport Layer Stack for an Organic Light-Emitting Diode NOVALED GMBH (DE) 2018-04-26 US disclosed
US-20180114920-A1 Electron Transport Layer Stack for an Organic Light-Emitting Diode NOVALED GMBH (DE) 2018-04-26 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 (2 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-11011708-B2 Electron transport layer stack for an organic light-emitting diode SLCO4C1, SLC7A5, OCIAD1 KIF11 1258/4885CYP2A6 3421/4885ALDH1A1 543/4885
US-20180114920-A1 Electron Transport Layer Stack for an Organic Light-Emitting Diode SLCO4C1, SLC7A5, OCIAD1 KIF11 1258/4885CYP2A6 3421/4885ALDH1A1 543/4885

“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.