SCHEMBL14508152

SCHEMBL14508152

CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cc(-c8ccccn8)ccc7-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5-6)ccc3-4)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 10/20 0.54
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
TNKS O95271 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
CCR1 P32246 1/20 0.35
CCR5 P51681 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
SCHEMBL14508194 1.00 PDK2 (0.54) PDK2CTSDBACE1TNKSKDM4E
SCHEMBL14508156 1.00 PDK2 (0.54) PDK2CTSDBACE1TNKSKDM4E
SCHEMBL14508167 0.99 PDK2 (0.56) PDK2CTSDBACE1TNKSKDM4E
SCHEMBL14508228 0.97 PDK2 (0.57) PDK2CTSDBACE1KDM4ENPC1
SCHEMBL14508216 0.96 PDK2 (0.51) PDK2CTSDBACE1TNKSKDM4E
SCHEMBL14508233 0.96 PDK2 (0.51) PDK2CTSDBACE1TNKSKDM4E
SCHEMBL14508135 0.96 PDK2 (0.53) PDK2CTSDBACE1TNKSKDM4E
SCHEMBL13388754 0.94 PDK2 (0.59) PDK2CTSDBACE1KDM4ENPC1
SCHEMBL3392580 0.93 PDK2 (0.61) PDK2CTSDBACE1TNKSKDM4E
SCHEMBL30772301 0.93 PDK2 (0.61) PDK2CTSDBACE1TNKSKDM4E

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-20070122652-A1 Compound and organic electroluminescent device using same CANON KABUSHIKI KAISHA (JP) 2007-05-31 US disclosed
US-20070122652-A1 Compound and organic electroluminescent device using same CANON KABUSHIKI KAISHA (JP) 2007-05-31 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-20070122652-A1 Compound and organic electroluminescent device using same OR10J3, LEF1, RPL19 PDK2 3230/4885CTSD 3705/4885BACE1 1501/4885

“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.