SCHEMBL4979730

SCHEMBL4979730

COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C2=CC(=O)[C@@]3(C)[C@@H](CC[C@@]3(O)CCC(=O)O)[C@@H]21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AR P10275 11/20 0.38
NR3C1 P04150 4/20 0.36
PGR P06401 3/20 0.36
NR3C2 P08235 2/20 0.36
LMNA P02545 1/20 0.34
PDE4D Q08499 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 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
SCHEMBL4981552 0.85 NR3C1 (0.44) TDP1MEN1KMT2AARNR3C1
SCHEMBL4255031 0.85 NR3C1 (0.44) TDP1MEN1KMT2AARNR3C1
SCHEMBL4822515 0.85 NR3C1 (0.44) TDP1MEN1KMT2AARNR3C1
SCHEMBL4982043 0.85 NR3C1 (0.44) TDP1MEN1KMT2AARNR3C1
SCHEMBL4983285 0.84 AR (0.36) TDP1MEN1KMT2AARNR3C1
SCHEMBL14284953 0.79 NR3C1 (0.53) MEN1KMT2AARNR3C1PGR
SCHEMBL4979738 0.78 TDP1 (0.40) TDP1MEN1KMT2AARNR3C1
SCHEMBL4818856 0.77 NR3C1 (0.43) TDP1MEN1KMT2AARNR3C1
SCHEMBL4818843 0.77 NR3C1 (0.43) TDP1MEN1KMT2AARNR3C1
SCHEMBL5499922 0.76 TDP1 (0.37) TDP1MEN1KMT2AARNR3C1

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 10 patents. 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 disclosed
EP-1148061-B1 Epoxidation process SEARLE LLC (US) 2007-10-17 EP disclosed
US-7112669-B2 Processes for preparation of 9,11-epoxy steroids and intermediates useful therein PHARMACIA CORPORATION (OF PFIZER, INC.) (US) 2006-09-26 US disclosed
US-20050256094-A1 Processes for preparation of 9, 11-epoxy steroids and intermediates useful therein G. D. SEARLE & COMPANY (US) 2005-11-17 US disclosed
US-6887991-B1 Processes for preparation of 9, 11-epoxy steroids and intermediates useful therein G. D. SEARLE & COMPANY (US) 2005-05-03 US disclosed
US-6610844-B2 Removing an 11-alpha-leaving group from an epoxymexrenone derivative G.D. SEARLE & COMPANY 2003-08-26 US disclosed
US-20030055274-A1 Processes for preparation of 9,11-epoxy steroids and intermediates useful therein G.D. SEARLE & COMPANY 2003-03-20 US disclosed
EP-0944644-B1 PROCESSES FOR PREPARATION OF 3-KETO-7alpha-ALKOXYCARBONYL-delta-4,5- STEROIDS AND INTERMEDIATES USEFUL THEREIN SEARLE & CO (US) 2002-10-02 EP disclosed
EP-1223174-A2 Processes for preparation of 3-keto-7alpha-alkoxycarbonyl-delta-4,5- steroids and intermediates useful therein G.D. SEARLE & CO. (US) 2002-07-17 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20050256094-A1 Processes for preparation of 9, 11-epoxy steroids and intermediates useful therein CYP4A11, CYP11B1, CYP17A1 TDP1 4355/4885MEN1 1757/4885KMT2A 4021/4885
US-20080027237-A1 Processes for preparations of 9,11-epoxy steroids and intermediates useful therein CYP4A11, CYP11B1, CYP17A1 TDP1 4310/4885MEN1 1070/4885KMT2A 4311/4885
US-20030055274-A1 Processes for preparation of 9,11-epoxy steroids and intermediates useful therein CYP4A11, HSD11B1, DHCR7 TDP1 4308/4885MEN1 4196/4885KMT2A 3684/4885

“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.