SCHEMBL13487378

SCHEMBL13487378

COc1ccc(-c2c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.45
PGR P06401 2/20 0.36
ABL1 P00519 2/20 0.35
ABCB1 P08183 2/20 0.35
BCR P11274 2/20 0.35
ACACA Q13085 1/20 0.35
ACHE P22303 1/20 0.35
ENPP1 P22413 1/20 0.34
ALOX5 P09917 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
NPC1 O15118 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
SCHEMBL13487120 0.92 PDK2 (0.40) PDK2PGRABL1ABCB1BCR
SCHEMBL13488139 0.92 PDK2 (0.49) PDK2PGRABL1ABCB1BCR
SCHEMBL13487291 0.90 CYP1A2 (0.38) PDK2PGRABL1ABCB1BCR
SCHEMBL13487753 0.89 PDK2 (0.46) PDK2PGRABL1ABCB1BCR
SCHEMBL13487911 0.89 PDK2 (0.49) PDK2PGRABL1ABCB1BCR
SCHEMBL10153548 0.88 PDK2 (0.52) PDK2PGRABL1ABCB1BCR
SCHEMBL14600432 0.88 PDK2 (0.52) PDK2PGRABL1ABCB1BCR
SCHEMBL13487190 0.88 CYP1A2 (0.38) PDK2PGRABL1ABCB1BCR
SCHEMBL13487062 0.88 MAPT (0.41) PDK2PGRABL1ABCB1BCR
SCHEMBL10153542 0.87 PDK2 (0.51) PDK2PGRABL1ABCB1BCR

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 1456/4885PGR 4215/4885ABL1 2960/4885

“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.