SCHEMBL13487528

SCHEMBL13487528

CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc(C(F)(F)F)cc4)c4ccc(-c5ccccc5)cc34)ccc21

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.41
PDK2 Q15119 11/20 0.40
ESR1 P03372 1/20 0.35
BACE1 P56817 2/20 0.35
MAPT P10636 1/20 0.34
HDAC2 Q92769 1/20 0.33
TDP2 O95551 1/20 0.33

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
SCHEMBL13487910 0.93 PDK2 (0.45) KIF11PDK2MAPT
SCHEMBL13487776 0.93 PDK2 (0.38) PDK2
SCHEMBL13487733 0.90 ESR1 (0.35) PDK2ESR1
SCHEMBL13488141 0.90 PDK2 (0.40) PDK2
SCHEMBL13487461 0.89 PDK2 (0.43) KIF11PDK2MAPT
SCHEMBL13487615 0.88 EPHX2 (0.36) PDK2ESR1BACE1
SCHEMBL13487121 0.88 KIF11 (0.40) KIF11PDK2ESR1BACE1MAPT
SCHEMBL13487505 0.87 PDK2 (0.40) PDK2MAPT
SCHEMBL13487515 0.86 PDK2 (0.41) PDK2
SCHEMBL19141904 0.85 PDK2 (0.41) PDK2MAPTTDP2

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 KIF11 2202/4885PDK2 1456/4885ESR1 803/4885

“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.