SCHEMBL4826656

SCHEMBL4826656

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

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.64
CYP19A1 P11511 12/20 0.60
AR P10275 2/20 0.49
PGR P06401 2/20 0.49
NR3C2 P08235 1/20 0.49
ALDH1A1 P00352 1/20 0.40
SHBG P04278 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL14571254 0.91 NR3C1 (0.64) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL8242650 0.91 NR3C1 (0.64) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL4978346 0.87 NR3C1 (0.61) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL4978357 0.87 NR3C1 (0.61) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL27046934 0.87 CYP19A1 (0.63) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL17775785 0.87 CYP19A1 (0.63) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL29534861 0.86 NR3C1 (0.66) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL10390166 0.86 NR3C1 (0.66) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL18351260 0.84 NR3C1 (0.78) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL7189243 0.84 NR3C1 (0.47) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232981-A1 Contacting a Delta 3,5-3-enol ether of formula (alkyl enol ether) with a hydride abstractor and an alcohol PHARMACIA & UPJOHN COMPANY 2003-12-18 US claimed
US-7417140-B2 17 beta -Hydroxy-7 alpha -(2'-hydroperoxy-2'-methoxyacetyl)pregna-4,9(11)-dien-3-one-21-carboxylic acid, gamma -lactone chemical intermediate useful to prepare eplerenone a hypotensive agent, useful for treating congestive heart failure PFIZER INC. (US) 2008-08-26 US disclosed
EP-1487859-B1 PROCESS TO PREPARE EPLERENONE PHARMACIA & UPJOHN CO LLC (US) 2008-08-13 EP disclosed
US-20070117780-A1 17 beta -Hydroxy-7 alpha -(2'-hydroperoxy-2'-methoxyacetyl)pregna-4,9(11)-dien-3-one-21-carboxylic acid, gamma -lactone chemical intermediate useful to prepare eplerenone a hypotensive agent, useful for treating congestive heart failure PHARMACIA & UPJOHN COMPANY 2007-05-24 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 (2 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-20070117780-A1 17 beta -Hydroxy-7 alpha -(2'-hydroperoxy-2'-methoxyacetyl)pregna-4,9(11)-dien-3-one-21-carboxylic acid, gamma -lactone chemical intermediate useful to prepare eplerenone a hypotensive agent, useful for treating congestive heart failure HSD17B7, HSD11B1, HSD11B2 NR3C1 65/4885CYP19A1 150/4885AR 123/4885
US-20030232981-A1 Contacting a Delta 3,5-3-enol ether of formula (alkyl enol ether) with a hydride abstractor and an alcohol NR3C2, HSD3B2, HSD11B2 NR3C1 19/4885CYP19A1 135/4885AR 25/4885

“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.