SCHEMBL6563217

SCHEMBL6563217

CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.64
NR3C1 P04150 4/20 0.64
LMNA P02545 2/20 0.64
MEN1 O00255 1/20 0.64
MAPT P10636 1/20 0.64
CYP2C19 P33261 1/20 0.64
KMT2A Q03164 1/20 0.64
CYP19A1 P11511 7/20 0.61
CYP3A4 P08684 6/20 0.58
PGR P06401 3/20 0.58
NR1I2 O75469 2/20 0.58
ALDH1A1 P00352 2/20 0.58
HSD17B10 Q99714 2/20 0.58
ABCC4 O15439 1/20 0.58
ABCB11 O95342 1/20 0.58
PDE4D Q08499 1/20 0.58
F2 P00734 1/20 0.56
AR P10275 1/20 0.56
CYP2C9 P11712 2/20 0.55
GAA P10253 1/20 0.55

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
SCHEMBL6343098 1.00 HIF1A (0.64) HIF1ANR3C1LMNAMEN1MAPT
SCHEMBL13517833 0.89 HIF1A (0.53) HIF1ANR3C1LMNAMEN1MAPT
SCHEMBL13517831 0.89 HIF1A (0.53) HIF1ANR3C1LMNAMEN1MAPT
SCHEMBL13518091 0.89 HIF1A (0.53) HIF1ANR3C1LMNAMEN1MAPT
Cismadinone SCHEMBL2111096 0.88 HIF1A (0.52) HIF1ANR3C1LMNAMEN1MAPT
SCHEMBL8331404 0.87 CYP3A4 (0.62) HIF1ANR3C1LMNAMEN1MAPT
SCHEMBL7794907 0.87 CYP3A4 (0.62) HIF1ANR3C1LMNAMEN1MAPT
SCHEMBL7796325 0.86 CYP3A4 (0.76) HIF1ANR3C1LMNAMEN1MAPT
SCHEMBL18351253 0.86 CYP3A4 (0.76) HIF1ANR3C1LMNAMEN1MAPT
SCHEMBL7796323 0.86 CYP3A4 (0.76) HIF1ANR3C1LMNAMEN1MAPT

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828120-B2 Preparation of 11 beta ,17 alpha ,21- trihydroxy-6 alpha -methylpregna-1,4-diene-3,20-dione 21-acetate; obtain chemical intermediates, incubate reaction mix and enzymes, recover product PHARMACIA AND UPJOHN COMPANY 2004-12-07 US claimed
EP-1399463-A1 PROCESS TO PREPARE 11$g(b),17$g(a),21-TRIHYDROXY-6$g(a)-METHYLPREGNA-1,4-DIENE-3,20-DIONE 21-ACETATE PHARMACIA & UPJOHN COMPANY (US) 2004-03-24 EP claimed
US-20030044885-A1 Process to prepare 11beta, 17alpha,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-acetate CRIA, INC. 2003-03-06 US claimed
WO-2002102826-A1 PROCESS TO PREPARE 11β,17α,21-TRIHYDROXY-6α-METHYLPREGNA-1,4-DIENE-3,20-DIONE 21-ACETATE PHARMACIA & UPJOHN COMPANY (US) 2002-12-27 WO claimed
US-6828120-B2 Preparation of 11 beta ,17 alpha ,21- trihydroxy-6 alpha -methylpregna-1,4-diene-3,20-dione 21-acetate; obtain chemical intermediates, incubate reaction mix and enzymes, recover product PHARMACIA AND UPJOHN COMPANY 2004-12-07 US disclosed
EP-1399463-A1 PROCESS TO PREPARE 11$g(b),17$g(a),21-TRIHYDROXY-6$g(a)-METHYLPREGNA-1,4-DIENE-3,20-DIONE 21-ACETATE PHARMACIA & UPJOHN COMPANY (US) 2004-03-24 EP disclosed
US-20030044885-A1 Process to prepare 11beta, 17alpha,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-acetate CRIA, INC. 2003-03-06 US disclosed
WO-2002102826-A1 PROCESS TO PREPARE 11β,17α,21-TRIHYDROXY-6α-METHYLPREGNA-1,4-DIENE-3,20-DIONE 21-ACETATE PHARMACIA & UPJOHN COMPANY (US) 2002-12-27 WO disclosed
EP-0941361-B1 A METHOD FOR THE PREPARATION OF STEROID COMPOUNDS DURAMED EUROP LTD (GB) 2001-11-28 EP disclosed
EP-0941361-A1 A METHOD FOR THE PREPARATION OF STEROID COMPOUNDS Duramed Europe Limited (GB) 1999-09-15 EP disclosed
WO-1998020151-A1 A METHOD FOR THE PREPARATION OF STEROID COMPOUNDS DURAMED EUROPE LIMITED (GB) 1998-05-14 WO disclosed
EP-0422100-B1 11 BETA-SUBSTITUTED PROGESTERONE ANALOGS RES TRIANGLE INST (US) 1997-03-12 EP disclosed
EP-0422100-A4 1994-04-27 EP disclosed
US-5073548-A Antiprogestational, progestational and antiglucocorticoid activity; glandular disorders; vision defects; antifertility agents RESEARCH TRIANGLE INSTITUTE (US) 1991-12-17 US disclosed
EP-0422100-A1 11-g(b)-SUBSTITUTED PROGESTERONE ANALOGS. RES TRIANGLE INST (US) 1991-04-17 EP disclosed
US-4954490-A HORMONE INHIBITORS RESEARCH TRIANGLE INSTITUTE (US) 1990-09-04 US disclosed
WO-1989012448-A1 11beta-SUBSTITUTED PROGESTERONE ANALOGS RESEARCH TRIANGLE INSTITUTE (US) 1989-12-28 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 (1 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-20030044885-A1 Process to prepare 11beta, 17alpha,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-acetate CYP17A1, CYP51A1, HSD17B11 HIF1A 584/4885NR3C1 103/4885LMNA 1301/4885

“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.