SCHEMBL4981558

SCHEMBL4981558

COC(=O)CC[C@@]1(O)CC[C@H]2[C@H]3C(=CC[C@@]21C)[C@@]1(C)CCC(=O)C=C1CC3C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.44
TDP1 Q9NUW8 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PGR P06401 2/20 0.37
LMNA P02545 1/20 0.37
PDE4D Q08499 1/20 0.37
CYP19A1 P11511 7/20 0.37
AR P10275 3/20 0.34
NR3C2 P08235 1/20 0.33
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL4818856 0.92 NR3C1 (0.43) NR3C1TDP1MEN1KMT2APGR
SCHEMBL4818843 0.92 NR3C1 (0.43) NR3C1TDP1MEN1KMT2APGR
SCHEMBL4981552 0.88 NR3C1 (0.44) NR3C1TDP1MEN1KMT2APGR
SCHEMBL4982043 0.88 NR3C1 (0.44) NR3C1TDP1MEN1KMT2APGR
SCHEMBL4255031 0.88 NR3C1 (0.44) NR3C1TDP1MEN1KMT2APGR
SCHEMBL4822515 0.88 NR3C1 (0.44) NR3C1TDP1MEN1KMT2APGR
SCHEMBL4818715 0.84 NR3C1 (0.41) NR3C1TDP1MEN1KMT2APGR
SCHEMBL4815685 0.84 NR3C1 (0.41) NR3C1TDP1MEN1KMT2APGR
SCHEMBL5393545 0.84 NR3C1 (0.41) NR3C1TDP1MEN1KMT2APGR
SCHEMBL4819437 0.83 NR3C1 (0.41) NR3C1TDP1MEN1KMT2APGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080027237-A1 Processes for preparations of 9,11-epoxy steroids and intermediates useful therein NG JOHN S 2008-01-31 US claimed
US-20040191874-A1 Process for preparation of 9, 11-epoxy steroids and intermediates useful therein G.D. SEARLE & COMPANY 2004-09-30 US claimed
US-20040067917-A1 Processes for preparation of 9, 11-epoxy steroids and intermediates useful therein G. D. SEARLE & COMPANY 2004-04-08 US claimed
US-20030100541-A1 Processes for preparation of 9,11-epoxy steroids and intermediates useful therein NG JOHN S (US) 2003-05-29 US claimed
US-20030055274-A1 Processes for preparation of 9,11-epoxy steroids and intermediates useful therein G.D. SEARLE & COMPANY 2003-03-20 US claimed
US-20020042507-A1 Process for preparation of 9,11-epoxy steroids and intermediates useful therein NG JOHN S (US) 2002-04-11 US claimed
US-20020019522-A1 Processes for preparation of 9-11, epoxy steroids and intermediates useful therein NG JOHN S (US) 2002-02-14 US claimed
US-20020016455-A1 Processes for preparation of 9,11- epoxy steroids and intermediates useful therein NG JOHN S (US) 2002-02-07 US claimed
EP-1170299-A2 Processes for preparation of 9,11-epoxy steroids and intermediates useful therein G.D. Searle & Co. (US) 2002-01-09 EP claimed
US-20080027237-A1 Processes for preparations of 9,11-epoxy steroids and intermediates useful therein NG JOHN S 2008-01-31 US disclosed
EP-1148061-B1 Epoxidation process SEARLE LLC (US) 2007-10-17 EP disclosed
EP-0973791-B1 PROCESS FOR THE PREPARATION OF AN EPOXY COMPOUND SEARLE LLC (US) 2007-06-20 EP disclosed
US-20070060746-A1 PROCESSES FOR PREPARATION OF 9,11 EPOXY STEROIDS AND INTERMEDIATES USEFUL THEREIN G.D. SEARLE, LLC (FORMERLY NAMED G.D. SEARLE & CO.) 2007-03-15 US disclosed
US-7129345-B2 Keto-substituted steroid compounds PHARMACIA CORPORATION (US) 2006-10-31 US disclosed
US-6335441-B1 5β-cyano-substituted steroid compounds G.D. SEARLE & CO. 2002-01-01 US disclosed
US-6331622-B1 Processes for preparation of 9, 11-epoxy steroids and intermediates useful therein G.D. SEARLE & CO. 2001-12-18 US disclosed
EP-1148061-A2 Process for preparation of 9, 11- epoxy steroids and intermediates useful therein G.D. SEARLE & CO. (US) 2001-10-24 EP disclosed
US-6258946-B1 CHEMICAL INTERMEDIATE FOR DIURETIC G. D. SEARLE & CO. 2001-07-10 US disclosed
US-6180780-B1 STEROIDS AND INTERMEDIATES AS DIURETICS G.D. SEARLE & CO. 2001-01-30 US disclosed
US-5981744-A REMOVING AN 11-ALPHA LEAVING GROUP FROM STARTING COMPOUND TO GENERATE A DOUBLE BOND BETWEEN THE 9- AND 11-CARBON ATOMS G. D. SEARLE AND CO. (US) 1999-11-09 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 (8 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-20030100541-A1 Processes for preparation of 9,11-epoxy steroids and intermediates useful therein CYP4A11, HSD11B1, DHCR7 NR3C1 36/4885TDP1 4462/4885MEN1 4242/4885
US-20040067917-A1 Processes for preparation of 9, 11-epoxy steroids and intermediates useful therein CYP4A11, HSD11B1, HSD3B1 NR3C1 47/4885TDP1 4299/4885MEN1 4118/4885
US-20080027237-A1 Processes for preparations of 9,11-epoxy steroids and intermediates useful therein CYP4A11, CYP11B1, CYP17A1 NR3C1 89/4885TDP1 4310/4885MEN1 1070/4885
US-20030055274-A1 Processes for preparation of 9,11-epoxy steroids and intermediates useful therein CYP4A11, HSD11B1, DHCR7 NR3C1 45/4885TDP1 4308/4885MEN1 4196/4885
US-20070060746-A1 PROCESSES FOR PREPARATION OF 9,11 EPOXY STEROIDS AND INTERMEDIATES USEFUL THEREIN DHCR7, CYP4A11, HSD11B1 NR3C1 57/4885TDP1 4190/4885MEN1 3051/4885
US-20020019522-A1 Processes for preparation of 9-11, epoxy steroids and intermediates useful therein CYP4A11, HSD11B1, DHCR7 NR3C1 32/4885TDP1 4485/4885MEN1 4344/4885
US-20020042507-A1 Process for preparation of 9,11-epoxy steroids and intermediates useful therein CYP4A11, HSD11B1, DHCR7 NR3C1 42/4885TDP1 4522/4885MEN1 4284/4885
US-20020016455-A1 Processes for preparation of 9,11- epoxy steroids and intermediates useful therein CYP4A11, HSD11B1, DHCR7 NR3C1 36/4885TDP1 4462/4885MEN1 4242/4885

“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.