SCHEMBL17973035

SCHEMBL17973035

CC(C)c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1nc(C(C)C)[nH]c1-3

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.34
KDM4E B2RXH2 2/20 0.33
GSK3B P49841 1/20 0.33
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
GFER P55789 1/20 0.32
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
ADORA2A P29274 1/20 0.30
PDE2A O00408 1/20 0.30

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
SCHEMBL12294482 0.92 KDM4E (0.36) CYP17A1KDM4EGSK3BHSD17B10HPGD
SCHEMBL15429606 0.89 KDM4E (0.36) KDM4EGSK3BHSD17B10LMNAADORA2A
SCHEMBL17323174 0.80 GSK3B (0.31) KDM4EGSK3B
SCHEMBL2707318 0.80 KDM4E (0.35) KDM4EHSD17B10HPGDGFERLMNA
SCHEMBL13561501 0.78 KDM4E (0.44) KDM4EGSK3BHSD17B10HPGDLMNA
SCHEMBL12327996 0.78 LMNA (0.39) CYP17A1KDM4EHSD17B10HPGDGFER
SCHEMBL10118796 0.77 PSMB5 (0.36) KDM4EHSD17B10HPGDGFERLMNA
SCHEMBL10118798 0.77 KDM4E (0.36) KDM4EHSD17B10HPGDGFERLMNA
SCHEMBL10118797 0.76 NPSR1 (0.36) KDM4EHSD17B10LMNANPSR1CHRNB2
SCHEMBL15042845 0.75 NPSR1 (0.33) KDM4EHSD17B10HPGDGFERLMNA

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-20160222034-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2016-08-04 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-20160222034-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CYP17A1 514/4885KDM4E 1173/4885GSK3B 443/4885

“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.