SCHEMBL13338586

SCHEMBL13338586

Cc1cc(C)cc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)C(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.37
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
ELANE P08246 1/20 0.33
PTPRC P08575 1/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 1/20 0.33
OPRK1 P41145 1/20 0.33
AR P10275 1/20 0.32
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL13338768 0.90 PDK2 (0.36) PDK2ESR1ESR2ELANEPTPRC
SCHEMBL13338525 0.90 PTPRC (0.39) PDK2ESR1ESR2ELANEPTPRC
SCHEMBL13338577 0.87 PDK2 (0.36) PDK2ELANEPTPRCAR
SCHEMBL13338421 0.87 PDK2 (0.43) PDK2ESR1ESR2KMT2ALMNA
SCHEMBL13338625 0.84 PDK2 (0.38) PDK2ESR1ESR2KMT2ALMNA
SCHEMBL13338465 0.83 PDK2 (0.37) PDK2ESR1ESR2KDM4EHTT
SCHEMBL13338692 0.83 PDK2 (0.38) PDK2KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL13338585 0.83 AR (0.36) PDK2AR
SCHEMBL12325213 0.82 PDK2 (0.40) PDK2ESR1ESR2ELANEPTPRC
SCHEMBL19998850 0.82 PDK2 (0.40) PDK2ESR1ESR2ELANEPTPRC

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-05-06 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-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OR10J3, OCIAD1, OCIAD2 PDK2 2885/4885ESR1 221/4885ESR2 94/4885

“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.