SCHEMBL7189243

SCHEMBL7189243

CC[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C(C)C[C@]4(C)C3=CC[C@@]21C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.47
CYP19A1 P11511 8/20 0.42
SERPINA6 P08185 2/20 0.40
AR P10275 2/20 0.39
PGR P06401 1/20 0.39
NR3C2 P08235 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KCNH2 Q12809 1/20 0.38
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
ESR1 P03372 1/20 0.36
CHRM2 P08172 1/20 0.36
ACHE P22303 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL10600409 0.85 NR3C1 (0.43) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL4826656 0.84 NR3C1 (0.64) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL9470387 0.78 ESR1 (0.46) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL14571254 0.76 NR3C1 (0.64) NR3C1CYP19A1SERPINA6ARPGR
SCHEMBL8242650 0.76 NR3C1 (0.64) NR3C1CYP19A1SERPINA6ARPGR
SCHEMBL10530695 0.73 NR3C1 (0.55) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL4843294 0.73 NR3C1 (0.42) NR3C1CYP19A1SERPINA6ARPGR
SCHEMBL11321023 0.72 NFKB1 (0.41) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL6390866 0.72 ALDH1A1 (0.53) NR3C1CYP19A1SERPINA6ARPGR
SCHEMBL4978357 0.72 NR3C1 (0.61) NR3C1CYP19A1ARPGRNR3C2

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-6586591-B2 Removing an 11 alpha-leaving group from a 20-spiroxane derivative G.D. SEARLE & CO. 2003-07-01 US disclosed
US-20020042507-A1 Process for preparation of 9,11-epoxy steroids and intermediates useful therein NG JOHN S (US) 2002-04-11 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-20020042507-A1 Process for preparation of 9,11-epoxy steroids and intermediates useful therein CYP4A11, HSD11B1, DHCR7 NR3C1 42/4885CYP19A1 161/4885SERPINA6 3168/4885

“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.