SCHEMBL4817504

SCHEMBL4817504

[O-]B([O-])F.c1ccc([C+](c2ccccc2)c2ccccc2)cc1.c1ccc([C+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL29130047 0.88 CYP3A4 (0.33) CYP3A4TDP1
SCHEMBL2863077 0.88 CYP3A4 (0.33) CYP3A4TDP1
SCHEMBL29395660 0.82 ALDH1A1 (0.40) CYP3A4TDP1
SCHEMBL215323 0.79
SCHEMBL3125569 0.79
Hydrochloric Acid SCHEMBL1498089 0.78 ALDH1A1 (0.38) CYP3A4TDP1
Fluoride Ion SCHEMBL3891341 0.78 ALDH1A1 (0.39) CYP3A4TDP1
SCHEMBL944607 0.77 CYP3A4 (0.33) CYP3A4TDP1
SCHEMBL3292756 0.77 ALDH1A1 (0.39)
SCHEMBL30572496 0.77 ALDH1A1 (0.32)

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101492487-A Process to prepare eplerenone PHARMACIA & UPJOHN CO LLC (US) 2009-07-29 CN disclosed
CN-100473660-C Process for preparing eplerenone UPJOHN CO (US) 2009-04-01 CN disclosed
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
US-7414127-B2 used to prepare eplerenone; intermediates PFIZER INC. (US) 2008-08-19 US disclosed
EP-1487859-B1 PROCESS TO PREPARE EPLERENONE PHARMACIA & UPJOHN CO LLC (US) 2008-08-13 EP disclosed
US-7411062-B2 17-Beta -hydroxy-7-alpha-(2'-oxoacetyl or alkanoylcarbonyl)-pregna-4,9(11)-dien-3-one-21-carboxylic acid, gamma -lactone; intermediate for preparing eplerenone PFIZER INC. (US) 2008-08-12 US disclosed
EP-1539795-B1 CRYSTALLINE 17BETA-HYDROXY-7ALPHA-(5'-METHYL-2'-FURYL)-PREGNA-4,9(11)-DIEN-3-ONE-21-CARBOXYLIC ACID, GAMMA-LACTONE PHARMACIA & UPJOHN CO LLC (US) 2007-10-31 EP disclosed
US-7235655-B2 Contacting a Delta 3,5-3-enol ether of formula (alkyl enol ether) with a hydride abstractor and an alcohol PHARMACIA & UPJOHN COMPANY (US) 2007-06-26 US disclosed
US-20070129332-A1 Processes to prepare eplerenone PHARMACIA & UPJOHN COMPANY 2007-06-07 US disclosed
US-20070123704-A1 17-Beta -hydroxy-7-alpha-(2'-oxoacetyl or alkanoylcarbonyl)-pregna-4,9(11)-dien-3-one-21-carboxylic acid, gamma -lactone; intermediate for preparing eplerenone PHARMACIA & UPJOHN COMPANY 2007-05-31 US disclosed
US-20070106072-A1 7a-Furyl or thienyl-substituted steroid compounds PHARMACIA & UPJOHN COMPANY 2007-05-10 US disclosed
US-20070100140-A1 used to prepare eplerenone; intermediates PHARMACIA & UPJOHN COMPANY 2007-05-03 US disclosed
US-7112670-B2 intermediates to produce the pharmaceutically useful compound eplerenone PHARMACIA CORPORATION (US) 2006-09-26 US disclosed
CN-1633445-A Process for preparing eplerenone PHARMACIA CORP (US) 2005-06-29 CN disclosed
EP-1539795-A1 CRYSTALLINE 17BETA-HYDROXY-7ALPHA-(5'-METHYL-2'-FURYL)-PREGNA-4,9(11)-DIEN-3-ONE-21-CARBOXYLIC ACID, GAMMA-LACTONE Pharmacia & Upjohn Company LLC (US) 2005-06-15 EP disclosed
EP-1487859-A2 PROCESS TO PREPARE EPLERENONE PHARMACIA & UPJOHN COMPANY (US) 2004-12-22 EP disclosed
US-20040127702-A1 intermediates to produce the pharmaceutically useful compound eplerenone PHARMACIA CORPORATION 2004-07-01 US disclosed
WO-2004037844-A1 CRYSTALLINE 17BETA-HYDROXY-7ALPHA- (5'-METHYL-2'-FURYL)-PREGNA-4,9(11)-DIEN-3-ONE-21-CARBOXYLIC ACID, GAMMA-LACTONE PHARMACIA & UPJOHN COMPANY (US) 2004-05-06 WO disclosed
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 disclosed
WO-2003082895-A2 PROCESS TO PREPARE EPLERENONE PHARMACIA & UPJOHN COMPANY (US) 2003-10-09 WO 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 (6 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 CYP3A4 57/4885TDP1 4790/4885
US-20070123704-A1 17-Beta -hydroxy-7-alpha-(2'-oxoacetyl or alkanoylcarbonyl)-pregna-4,9(11)-dien-3-one-21-carboxylic acid, gamma -lactone; intermediate for preparing eplerenone HSD17B7, HSD11B1, HSD17B11 CYP3A4 116/4885TDP1 4866/4885
US-20040127702-A1 intermediates to produce the pharmaceutically useful compound eplerenone HSD17B7, CYP11B1, CYP17A1 CYP3A4 61/4885TDP1 4837/4885
US-20070106072-A1 7a-Furyl or thienyl-substituted steroid compounds NR3C2, HSD17B7, CYP11B1 CYP3A4 42/4885TDP1 4681/4885
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 CYP3A4 99/4885TDP1 4733/4885
US-20070129332-A1 Processes to prepare eplerenone HSD17B7, CYP11B2, CYP4A11 CYP3A4 37/4885TDP1 4727/4885

“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.