SCHEMBL22039019

SCHEMBL22039019

CC1(C)c2cccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)cc4)n3)c2-c2ccc3ccccc3c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.41
DHODH Q02127 1/20 0.41
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP19A1 P11511 2/20 0.38
CYP11B1 P15538 2/20 0.38
CYP17A1 P05093 1/20 0.38
CYP11B2 P19099 1/20 0.38
CYP2C9 P11712 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL22037435 1.00 PDK2 (0.41) PDK2DHODHALDH1A1KDM4EMAPT
SCHEMBL22037894 1.00 PDK2 (0.41) PDK2DHODHALDH1A1KDM4EMAPT
SCHEMBL22037402 0.96 PDK2 (0.40) PDK2DHODHALDH1A1KDM4EMAPT
SCHEMBL25537780 0.96 PDK2 (0.40) PDK2DHODHALDH1A1KDM4EMAPT
SCHEMBL25536756 0.96 PDK2 (0.40) PDK2DHODHALDH1A1KDM4EMAPT
SCHEMBL22037703 0.96 PDK2 (0.41) PDK2DHODHALDH1A1KDM4EMAPT
SCHEMBL22037592 0.96 PDK2 (0.41) PDK2DHODHALDH1A1KDM4EMAPT
SCHEMBL22037470 0.96 PDK2 (0.41) PDK2DHODHALDH1A1KDM4EMAPT
SCHEMBL25537410 0.95 PDK2 (0.39) PDK2DHODHALDH1A1KDM4EMAPT
SCHEMBL25537569 0.94 PDK2 (0.39) PDK2DHODHALDH1A1KDM4EMAPT

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-20200168805-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME DOOSAN CORPORATION (KR) 2020-05-28 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-20200168805-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ELOVL1, ELOVL6, ELOVL5 PDK2 2857/4885DHODH 2415/4885ALDH1A1 781/4885

“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.