SCHEMBL408034

SCHEMBL408034

CCc1cc(-c2ccc(-c3ccc(-c4ccc(NC(=O)OC(C)(C)C)cc4)c(CC)c3)c(C)c2)ccc1-c1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.46
MAP4K4 O95819 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
PSMB8 P28062 1/20 0.42
CD274 Q9NZQ7 1/20 0.41
SREBF2 Q12772 1/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC3 O15379 2/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 3/20 0.40
PPARG P37231 1/20 0.40
MAPK14 Q16539 1/20 0.40
HDAC10 Q969S8 1/20 0.39
PRKDC P78527 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL403105 0.81 CYP17A1 (0.42) CYP17A1MAP4K4PSMB8CD274SREBF2
SCHEMBL402997 0.77 PRMT5 (0.46) CYP17A1MAP4K4CA1CA9PSMB8
SCHEMBL6840467 0.75 HTR1D (0.53) CYP17A1PSMB8HDAC1HDAC3HDAC2
SCHEMBL20865536 0.74 CYP17A1 (0.68) CYP17A1MAP4K4CA12CA1CA9
SCHEMBL20370284 0.74 CYP17A1 (0.53) CYP17A1MAP4K4CA12CA1CA9
SCHEMBL3818815 0.73 CYP17A1 (0.45) CYP17A1MAP4K4CA12CA1CA9
SCHEMBL31557880 0.73 CYP17A1 (0.51) CYP17A1MAP4K4CA12CA1CA9
SCHEMBL15139200 0.72 CYP17A1 (0.52) CYP17A1MAP4K4CA12CA1CA9
SCHEMBL13055402 0.72 CYP17A1 (0.59) CYP17A1MAP4K4CA12CA1CA9
SCHEMBL3820806 0.72 CYP17A1 (0.44) CYP17A1MAP4K4CA12CA1CA9

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-20120065432-A1 ELECTROACTIVE MATERIALS E.I DU PONT DE NEMOURS AND COMPANY (US) 2012-03-15 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-20120065432-A1 ELECTROACTIVE MATERIALS NAT1, ADRA1D, ADRA1B CYP17A1 143/4885MAP4K4 3253/4885CA12 3047/4885

“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.