SCHEMBL13487121

SCHEMBL13487121

CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccc(C(F)(F)F)cc4)c4ccc(-c5ccccc5)cc34)cccc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.40
PDK2 Q15119 6/20 0.36
ESR1 P03372 2/20 0.34
BACE1 P56817 1/20 0.34
MAPT P10636 1/20 0.33
AGXT P21549 1/20 0.33
DHODH Q02127 1/20 0.33
ENPP1 P22413 1/20 0.33
HDAC2 Q92769 1/20 0.32
TDP2 O95551 1/20 0.32
ADRB3 P13945 1/20 0.32
ADRA2B P18089 1/20 0.32
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
ADRA1B P35368 1/20 0.32
P2RY14 Q15391 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
MGLL Q99685 1/20 0.32

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
SCHEMBL13487379 0.92 PDK2 (0.37) PDK2
SCHEMBL13487297 0.90 ESR1 (0.35) KIF11PDK2ESR1ENPP1
SCHEMBL13487189 0.89 SCN5A (0.35) PDK2ESR1BACE1DHODHENPP1
SCHEMBL13487043 0.89 PDK2 (0.36) KIF11PDK2MAPTENPP1
SCHEMBL13487910 0.88 PDK2 (0.45) KIF11PDK2MAPT
SCHEMBL13487528 0.88 KIF11 (0.41) KIF11PDK2ESR1BACE1MAPT
SCHEMBL13487103 0.87 PDK2 (0.37) PDK2ENPP1
SCHEMBL13487107 0.86 PIK3CA (0.40) KIF11PDK2DHODH
SCHEMBL13651059 0.86 KIF11 (0.39) KIF11PDK2BACE1MAPTAGXT
SCHEMBL13487154 0.85 PDK2 (0.32) PDK2

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 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.