SCHEMBL10018629

SCHEMBL10018629

CCC1(CC)c2ccccc2-c2cc3c(cc21)C(CC)(CC)c1cc(-c2ccc(N(c4ccccc4)c4ccccc4)cc2)ccc1-3

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 19/20 0.40
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL13145407 1.00 PDK2 (0.40) PDK2KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL10029858 0.93 PDK2 (0.41) PDK2
SCHEMBL10018632 0.93 PDK2 (0.36) PDK2CYP1A2
SCHEMBL10018631 0.93 PDK2 (0.36) PDK2ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL10018628 0.90 PDK2 (0.41) PDK2KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL13878189 0.88 PDK2 (0.39) PDK2MAPTL3MBTL1
SCHEMBL16922892 0.88 PDK2 (0.39) PDK2MAPTL3MBTL1
SCHEMBL12379106 0.88 PDK2 (0.38) PDK2
SCHEMBL12175925 0.87 PDK2 (0.36) PDK2
SCHEMBL17678563 0.87 PDK2 (0.39) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120104940-A1 NOVEL COMPOUNDS FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTRONIC DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-05-03 US disclosed
US-20120104940-A1 NOVEL COMPOUNDS FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTRONIC DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-05-03 US disclosed
WO-2010114243-A2 NOVEL COMPOUNDS FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTRONIC DEVICE USING THE SAME DOW ADVANCED DISPLAY MATERIALS,LTD. (KR) 2010-10-07 WO 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-20120104940-A1 NOVEL COMPOUNDS FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTRONIC DEVICE USING THE SAME OCIAD2, OCIAD1, SLCO4C1 PDK2 2101/4885KDM4E 2701/4885ALDH1A1 1873/4885

“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.