SCHEMBL4978346

SCHEMBL4978346

C[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@@]2(C)[C@H]1CC[C@@]2(O)CCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.61
CYP19A1 P11511 9/20 0.55
AR P10275 3/20 0.45
PGR P06401 2/20 0.45
NR3C2 P08235 1/20 0.45
TDP1 Q9NUW8 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
PDE4D Q08499 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39

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
SCHEMBL4978357 1.00 NR3C1 (0.61) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL4826656 0.87 NR3C1 (0.64) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL8242650 0.87 NR3C1 (0.64) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL14571254 0.87 NR3C1 (0.64) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL6705112 0.86 NR3C1 (0.47) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL6839221 0.85 PGR (0.51) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL4255035 0.84 NR3C1 (0.44) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL4818856 0.83 NR3C1 (0.43) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL4818843 0.83 NR3C1 (0.43) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL11313578 0.83 NR3C1 (0.72) 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 7 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
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 (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-20080027237-A1 Processes for preparations of 9,11-epoxy steroids and intermediates useful therein CYP4A11, CYP11B1, CYP17A1 NR3C1 89/4885CYP19A1 14/4885AR 169/4885
US-20030055274-A1 Processes for preparation of 9,11-epoxy steroids and intermediates useful therein CYP4A11, HSD11B1, DHCR7 NR3C1 45/4885CYP19A1 152/4885AR 258/4885

“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.