SCHEMBL5499361

SCHEMBL5499361

C[C@]12C[C@H](c3ccc(-c4cccnc4)cc3)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1C=C[C@@]2(O)C(F)(F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 8/20 0.41
▸ PGR P06401 15/20 0.41
▸ AR P10275 7/20 0.41
▸ CYP3A4 P08684 1/20 0.39
▸ CYP17A1 P05093 2/20 0.32
▸ CYP21A2 P08686 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL8767958 0.88 NR3C1 (0.42) NR3C1PGRARCYP3A4CYP17A1
SCHEMBL5501467 0.88 NR3C1 (0.44) NR3C1PGRARCYP3A4LMNA
SCHEMBL7510433 0.85 NR3C1 (0.44) NR3C1PGRARCYP3A4LMNA
SCHEMBL5502772 0.85 NR3C1 (0.44) NR3C1PGRARCYP3A4LMNA
SCHEMBL7510425 0.85 NR3C1 (0.44) NR3C1PGRARCYP3A4LMNA
SCHEMBL5502771 0.85 NR3C1 (0.44) NR3C1PGRARCYP3A4LMNA
SCHEMBL5498124 0.84 PGR (0.49) NR3C1PGRARCYP3A4LMNA
SCHEMBL5498047 0.84 NR3C1 (0.44) NR3C1PGRARCYP3A4LMNA
SCHEMBL5498161 0.77 PGR (0.60) NR3C1PGRAR
SCHEMBL9019827 0.76 NR3C1 (0.59) NR3C1PGRARCYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7148213-B2 Antigestagenically active steroids with a fluorinated 17α-alkyl chain SCHERING AG (DE) 2006-12-12 — — US claimed
US-20050080060-A1 Antigestagenically active steroids with a fluorinated 17alpha-alkyl chain BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-04-14 — — US claimed
US-6806263-B2 NEW 17 ALPHA -FLUOROALKYL STEROIDS OF GENERAL FORMULA I AS ANTIESTROGENS SCHERING AG (DE) 2004-10-19 — — US claimed
US-20030134834-A1 Antigestagenically active steroids with a fluorinated 17-alpha-alkyl chain SCHERING AG (DE) 2003-07-17 — — US claimed
US-6503895-B2 Antigestagenically active steroids with a fluorinated 17α-alkyl chain SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-07 — — US claimed
US-20020045774-A1 Antigestagenically active steroids with a fluorinated 17-alpha-alkyl chain SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-18 — — US claimed
EP-0970103-B1 ANTIGESTAGENIC STEROIDS WITH A FLUORINATED 17ALPHA-ALKYL CHAIN SCHERING AG (DE) 2002-04-17 — — EP claimed
US-6316432-B1 ANTIESTROGENS AND ANTIFERTILITY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2001-11-13 — — US claimed
EP-1365765-B1 THE USE OF ANTIGESTAGENS FOR INHIBITING ACCELERATED ENDOMETRIAL MATURATION DURING INFERTILITY TREATMENT BAYER SCHERING PHARMA AG (DE) 2007-07-25 — — EP disclosed
US-7148213-B2 Antigestagenically active steroids with a fluorinated 17α-alkyl chain SCHERING AG (DE) 2006-12-12 — — US disclosed
US-20050080060-A1 Antigestagenically active steroids with a fluorinated 17alpha-alkyl chain BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-04-14 — — US disclosed
US-6806263-B2 NEW 17 ALPHA -FLUOROALKYL STEROIDS OF GENERAL FORMULA I AS ANTIESTROGENS SCHERING AG (DE) 2004-10-19 — — US disclosed
US-20040152684-A1 Use of antigestagens for inhibiting accelerated endometrial maturation during infertility treatment BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-08-05 — — US disclosed
US-20030134834-A1 Antigestagenically active steroids with a fluorinated 17-alpha-alkyl chain SCHERING AG (DE) 2003-07-17 — — US disclosed
US-6503895-B2 Antigestagenically active steroids with a fluorinated 17α-alkyl chain SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-07 — — US disclosed
US-20020143000-A1 Use of antigestagens for inhibiting accelerated endometrial maturation during infertility treatment BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2002-10-03 — — US disclosed
US-20020045774-A1 Antigestagenically active steroids with a fluorinated 17-alpha-alkyl chain SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-18 — — US disclosed
EP-0970103-B1 ANTIGESTAGENIC STEROIDS WITH A FLUORINATED 17ALPHA-ALKYL CHAIN SCHERING AG (DE) 2002-04-17 — — EP disclosed
US-6316432-B1 ANTIESTROGENS AND ANTIFERTILITY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2001-11-13 — — US 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 (5 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-20030134834-A1 Antigestagenically active steroids with a fluorinated 17-alpha-alkyl chain HSD17B11, HSD3B1, CYP17A1 NR3C1 52/4885PGR 71/4885AR 149/4885
US-20020143000-A1 Use of antigestagens for inhibiting accelerated endometrial maturation during infertility treatment FSHR, GNRHR, NR5A1 NR3C1 61/4885PGR 4/4885AR 118/4885
US-20040152684-A1 Use of antigestagens for inhibiting accelerated endometrial maturation during infertility treatment FSHR, GNRHR, NR5A1 NR3C1 61/4885PGR 4/4885AR 118/4885
US-20020045774-A1 Antigestagenically active steroids with a fluorinated 17-alpha-alkyl chain HSD17B11, NR5A1, HSD3B1 NR3C1 31/4885PGR 52/4885AR 186/4885
US-20050080060-A1 Antigestagenically active steroids with a fluorinated 17alpha-alkyl chain NR5A1, HSD17B11, CYP21A2 NR3C1 17/4885PGR 40/4885AR 126/4885

“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.

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