SCHEMBL22927121

SCHEMBL22927121

CC(C)(C)OC(=O)Nc1ccc(-c2cccc(-c3cccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)c3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.49
MAP4K4 O95819 1/20 0.48
TRPV1 Q8NER1 1/20 0.45
BCL2 P10415 1/20 0.44
BECN1 Q14457 1/20 0.44
SREBF2 Q12772 1/20 0.44
PORCN Q9H237 1/20 0.43
CNR1 P21554 1/20 0.42
PSMB8 P28062 1/20 0.42
NAMPT P43490 1/20 0.42
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL22927126 1.00 CYP17A1 (0.49) CYP17A1MAP4K4TRPV1BCL2BECN1
SCHEMBL23011276 0.80 LMNA (0.42) KDM4E
SCHEMBL13857260 0.79 GPR39 (0.56) CYP3A4KDM4E
SCHEMBL26078072 0.78 LMNA (0.42) KDM4E
SCHEMBL18570243 0.77 CYP17A1 (0.61) CYP17A1MAP4K4BCL2BECN1PSMB8
SCHEMBL25432469 0.75 CYP17A1 (0.55) CYP17A1MAP4K4
SCHEMBL13931410 0.74 CYP17A1 (0.52) CYP17A1MAP4K4BCL2BECN1
SCHEMBL18680023 0.74 KDM4E (0.57) KDM4E
SCHEMBL19275985 0.74 KDM4E (0.61) KDM4E
SCHEMBL12956832 0.74 KDM4E (0.61) KDM4E

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-20210024560-A1 STRONGLY POLARIZED MOLECULE, AND SINGLE MOLECULE FIELD EFFECT TRANSISTOR PREPARED THEREFROM PEKING UNIVERSITY (CN) 2021-01-28 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-20210024560-A1 STRONGLY POLARIZED MOLECULE, AND SINGLE MOLECULE FIELD EFFECT TRANSISTOR PREPARED THEREFROM CHRM1, CHRM2, CHRM4 CYP17A1 2068/4885MAP4K4 1634/4885TRPV1 1025/4885

“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.