SCHEMBL13487694

SCHEMBL13487694

COc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c3cc(-c4ccc5ccccc5c4)ccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.40
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALOX5 P09917 1/20 0.38
PTGER3 P43115 1/20 0.36
CYP2A6 P11509 1/20 0.36
ABCB1 P08183 2/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
CYP1A1 P04798 1/20 0.36
ABCC1 P33527 1/20 0.36
CYP1B1 Q16678 1/20 0.36
PGR P06401 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
ABL1 P00519 1/20 0.35

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
SCHEMBL13488064 0.93 PDK2 (0.45) PDK2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13487753 0.91 PDK2 (0.46) PDK2ALOX5ABCB1PGRGPR84
SCHEMBL13487527 0.91 PDK2 (0.44) PDK2CYP11B1CYP11B2ALOX5ABCB1
SCHEMBL13487625 0.90 CYP1A2 (0.38) PDK2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13487291 0.88 CYP1A2 (0.38) PDK2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13487652 0.88 PDK2 (0.36) PDK2CYP1A2CYP3A4CYP2C19PTGER3
SCHEMBL13488139 0.87 PDK2 (0.49) PDK2ALOX5ABCB1PGRABL1
SCHEMBL13487656 0.87 MAPK9 (0.37) PDK2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13487460 0.86 MAPT (0.41) PDK2ALOX5ABCB1PGRABL1
SCHEMBL13487733 0.85 ESR1 (0.35) PDK2PTGER3

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 1456/4885CYP1A2 607/4885CYP3A4 1015/4885

“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.