SCHEMBL6836064

SCHEMBL6836064

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.67
CYP3A4 P08684 7/20 0.67
AR P10275 3/20 0.67
F2 P00734 1/20 0.67
NR3C1 P04150 6/20 0.65
HIF1A Q16665 5/20 0.65
ABCB11 O95342 4/20 0.65
ALDH1A1 P00352 3/20 0.65
ABCC4 O15439 2/20 0.65
HSD17B10 Q99714 2/20 0.65
NR1I2 O75469 2/20 0.65
PDE4D Q08499 1/20 0.65
LMNA P02545 3/20 0.54
USP2 O75604 2/20 0.54
ESR1 P03372 1/20 0.54
SHBG P04278 1/20 0.54
CHRM2 P08172 1/20 0.54
NR3C2 P08235 1/20 0.54
CHRM1 P11229 1/20 0.54
HRH2 P25021 1/20 0.54

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
SCHEMBL6836062 1.00 PGR (0.67) PGRCYP3A4ARF2NR3C1
SCHEMBL11272818 1.00 PGR (0.67) PGRCYP3A4ARF2NR3C1
SCHEMBL6836061 1.00 PGR (0.67) PGRCYP3A4ARF2NR3C1
SCHEMBL11686743 0.92 CYP3A4 (0.64) PGRCYP3A4ARF2NR3C1
SCHEMBL11686756 0.92 CYP3A4 (0.64) PGRCYP3A4ARF2NR3C1
SCHEMBL11878275 0.91 CYP3A4 (0.73) PGRCYP3A4ARF2NR3C1
SCHEMBL1371249 0.91 CYP3A4 (0.73) PGRCYP3A4ARF2NR3C1
SCHEMBL11878266 0.91 CYP3A4 (0.73) PGRCYP3A4ARF2NR3C1
SCHEMBL6836230 0.91 CYP3A4 (0.73) PGRCYP3A4ARF2NR3C1
SCHEMBL6836229 0.91 CYP3A4 (0.73) PGRCYP3A4ARF2NR3C1

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 11 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
US-20040006240-A1 Process to prepare 11beta,17alpha ,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-acetate PHARMACIA & UPJOHN COMPANY 2004-01-08 US 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
US-20030013900-A1 Process to prepare11beta,17alpha, 21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-acetate PHARMACIA & UPJOHN COMPANY 2003-01-16 US 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
US-20040006240-A1 Process to prepare 11beta,17alpha ,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-acetate PHARMACIA & UPJOHN COMPANY 2004-01-08 US 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
US-20030013900-A1 Process to prepare11beta,17alpha, 21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-acetate PHARMACIA & UPJOHN COMPANY 2003-01-16 US disclosed
EP-0754701-B1 NOVEL PROGESTERONE COMPOUND AND USE THEREOF MEIJI MILK PROD CO LTD (JP) 1998-08-12 EP disclosed
US-5693629-A 9A-FLUORO-6A-METHYLPROGESTERONE DERIVATIVES AS ANGIOGENESIS INHIBITORS; ANTITUMOR AND -CARCINOGENIC AGENTS; DIABETIC RETINITIS; RHEUMATISM MEIJI MILK PRODUCTS CO., LTD. (JP) 1997-12-02 US disclosed
EP-0754701-A1 NOVEL PROGESTERONE COMPOUND AND USE THEREOF MEIJI MILK PRODUCTS COMPANY LIMITED (JP) 1997-01-22 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-20030013900-A1 Process to prepare11beta,17alpha, 21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-acetate CYP17A1, CYP51A1, CYP4A11 PGR 447/4885CYP3A4 102/4885AR 171/4885
US-20030044885-A1 Process to prepare 11beta, 17alpha,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-acetate CYP17A1, CYP51A1, HSD17B11 PGR 339/4885CYP3A4 86/4885AR 134/4885
US-20040006240-A1 Process to prepare 11beta,17alpha ,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-acetate CYP17A1, CYP51A1, HSD17B11 PGR 448/4885CYP3A4 96/4885AR 157/4885

“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.