SCHEMBL4979812

SCHEMBL4979812

CC1(C(=O)O)CC2=CC(=O)CC[C@]2(C)[C@@]2(O)C(O)C[C@@]3(C)[C@@H](CC[C@]3(O)CCC(=O)O)[C@H]12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.41
AR P10275 3/20 0.41
PGR P06401 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 4/20 0.38
HRH1 P35367 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.38
PDE4D Q08499 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
SHBG P04278 1/20 0.38
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 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
SCHEMBL4979801 0.80 NR3C1 (0.50) NR3C1ARPGRHSD17B10TDP1
SCHEMBL4983766 0.80 NR3C1 (0.50) NR3C1ARPGRHSD17B10TDP1
SCHEMBL6397007 0.80 NR3C1 (0.50) NR3C1ARPGRHSD17B10TDP1
SCHEMBL11588753 0.79 NR3C1 (0.52) NR3C1ARPGRHSD17B10TDP1
SCHEMBL11588757 0.79 NR3C1 (0.52) NR3C1ARPGRHSD17B10TDP1
SCHEMBL11589023 0.77 NR3C1 (0.70) NR3C1ARPGRHSD17B10TDP1
SCHEMBL11589659 0.77 NR3C1 (0.70) NR3C1ARPGRHSD17B10TDP1
SCHEMBL11589017 0.77 NR3C1 (0.70) NR3C1ARPGRHSD17B10TDP1
SCHEMBL17451254 0.75 ALDH1A1 (0.47) NR3C1ARPGRHSD17B10TDP1
SCHEMBL14989994 0.75 ALDH1A1 (0.47) NR3C1ARPGRHSD17B10TDP1

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 NR3C1 71/4885AR 131/4885PGR 222/4885
US-20080027237-A1 Processes for preparations of 9,11-epoxy steroids and intermediates useful therein CYP4A11, CYP11B1, CYP17A1 NR3C1 89/4885AR 169/4885PGR 280/4885
US-20030055274-A1 Processes for preparation of 9,11-epoxy steroids and intermediates useful therein CYP4A11, HSD11B1, DHCR7 NR3C1 45/4885AR 258/4885PGR 1192/4885

“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.