SCHEMBL24915656

SCHEMBL24915656

CC(C)[C@H]1CCOc2ccc(C3CC3)cc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.37
MAP3K14 Q99558 2/20 0.33
ADRA2A P08913 1/20 0.32
PIK3CD O00329 2/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
KDM4C Q9H3R0 3/20 0.32
PIK3CA P42336 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
QDPR P09417 1/20 0.31

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
SCHEMBL24915971 1.00 KCNH2 (0.37) KCNH2MAP3K14ADRA2APIK3CDPIK3CB
SCHEMBL24915657 0.81 ADRA2A (0.48) MAP3K14ADRA2APIK3CBPIK3CGKDM4C
SCHEMBL24915969 0.81 ADRA2A (0.48) MAP3K14ADRA2APIK3CBPIK3CGKDM4C
SCHEMBL12169251 0.79 GRM7 (0.38) MAP3K14ADRA2A
SCHEMBL16691509 0.79 PTGS1 (0.36) MAP3K14ADRA2A
SCHEMBL12609031 0.79 GRM7 (0.38) MAP3K14ADRA2A
SCHEMBL23841478 0.79 MAP3K14 (0.51) KCNH2MAP3K14ADRA2APIK3CA
SCHEMBL12609027 0.79 GRM7 (0.38) MAP3K14ADRA2A
SCHEMBL24915967 0.77 ENPP2 (0.46)
SCHEMBL24915659 0.77 ENPP2 (0.46)

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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 KCNH2 4375/4885MAP3K14 868/4885ADRA2A 4703/4885

“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.