SCHEMBL14508149

SCHEMBL14508149

CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccccc7-c7cccc(-c8ccccn8)n7)ccc5-6)ccc3-4)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 10/20 0.48
CCR1 P32246 3/20 0.46
CCR5 P51681 3/20 0.46
CCR8 P51685 3/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
ALPL P05186 1/20 0.46
HSP90AA1 P07900 1/20 0.46
ALPI P09923 1/20 0.46
ALPG P10696 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TGFBR1 P36897 5/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 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
SCHEMBL14508191 0.97 CCR1 (0.49) PDK2CCR1CCR5CCR8KDM4E
SCHEMBL14508136 0.91 PDK2 (0.50) PDK2CCR1CCR5CCR8KDM4E
SCHEMBL14508139 0.91 PDK2 (0.50) PDK2CCR1CCR5CCR8KDM4E
SCHEMBL23712269 0.90 PDK2 (0.46) PDK2CCR1CCR5CCR8KDM4E
SCHEMBL23712264 0.90 PDK2 (0.46) PDK2CCR1CCR5CCR8KDM4E
SCHEMBL14508147 0.90 PDK2 (0.51) PDK2CCR1CCR5CCR8KDM4E
SCHEMBL23712266 0.88 PDK2 (0.49) PDK2CCR1CCR5CCR8KDM4E
SCHEMBL23712250 0.88 PDK2 (0.51) PDK2CCR1CCR5CCR8KDM4E
SCHEMBL14508228 0.88 PDK2 (0.57) PDK2CCR1CCR5CCR8KDM4E
SCHEMBL14508175 0.88 PDK2 (0.49) PDK2CCR1CCR5CCR8KDM4E

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 3230/4885CCR1 531/4885CCR5 324/4885

“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.