SCHEMBL4843294

SCHEMBL4843294

Cc1ccc(C2C[C@@]3(C)C(=CC2=O)CC[C@@H]2C3=CC[C@@]3(C)[C@H]2CC[C@@]3(O)CCC(=O)O)o1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.42
AR P10275 4/20 0.36
PGR P06401 2/20 0.36
NR3C2 P08235 2/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP19A1 P11511 3/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
SERPINA6 P08185 2/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL5199219 0.81 NR3C1 (0.33) NR3C1NFKB1NFKB2RELAKCNH2
SCHEMBL4978346 0.79 NR3C1 (0.61) NR3C1ARPGRNR3C2CYP19A1
SCHEMBL4978357 0.79 NR3C1 (0.61) NR3C1ARPGRNR3C2CYP19A1
SCHEMBL4823153 0.77 NR3C1 (0.42) NR3C1ARPGRNR3C2CYP19A1
SCHEMBL7113336 0.77 NR3C1 (0.42) NR3C1ARPGRNR3C2CYP19A1
SCHEMBL6755263 0.77 NR3C1 (0.42) NR3C1ARPGRNR3C2CYP19A1
SCHEMBL7189243 0.73 NR3C1 (0.47) NR3C1ARPGRNR3C2NFKB1
SCHEMBL6705112 0.70 NR3C1 (0.47) NR3C1ARPGRNR3C2CYP19A1
SCHEMBL6839221 0.69 PGR (0.51) NR3C1ARPGRNR3C2CYP19A1
SCHEMBL28472478 0.69 NR3C1 (0.42) NR3C1ARPGRNR3C2NFKB1

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-7414127-B2 used to prepare eplerenone; intermediates PFIZER INC. (US) 2008-08-19 US disclosed
US-20070100140-A1 used to prepare eplerenone; intermediates PHARMACIA & UPJOHN COMPANY 2007-05-03 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-20070100140-A1 used to prepare eplerenone; intermediates CYP11B2, CYP11B1, HSD17B7 NR3C1 74/4885AR 47/4885PGR 255/4885

“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.