SCHEMBL13487527

SCHEMBL13487527

COc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c3cc(-c4ccccc4)ccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.44
ACACA Q13085 1/20 0.39
ACHE P22303 1/20 0.39
PGR P06401 1/20 0.37
ABL1 P00519 2/20 0.37
ABCB1 P08183 2/20 0.37
BCR P11274 2/20 0.37
BACE1 P56817 2/20 0.36
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
PIN1 Q13526 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL13487911 0.93 PDK2 (0.49) PDK2ACACAACHEPGRABL1
SCHEMBL13487753 0.93 PDK2 (0.46) PDK2ACACAACHEPGRABL1
SCHEMBL13487694 0.91 PDK2 (0.40) PDK2ACACAACHEPGRABL1
SCHEMBL13488139 0.89 PDK2 (0.49) PDK2ACACAACHEPGRABL1
SCHEMBL13487460 0.88 MAPT (0.41) PDK2ACACAACHEPGRABL1
SCHEMBL13487625 0.88 CYP1A2 (0.38) PDK2ACACAACHEPGRABL1
SCHEMBL13150216 0.87 PDK2 (0.40) PDK2ACACAACHEPGRABL1
SCHEMBL13487120 0.87 PDK2 (0.40) PDK2ACACAACHEPGRABL1
SCHEMBL10153532 0.87 PDK2 (0.54) PDK2ACACAACHEPGRABL1
SCHEMBL19141904 0.86 PDK2 (0.41) PDK2ACHEPGRMEN1KMT2A

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 1456/4885ACACA 1675/4885ACHE 1095/4885

“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.