SCHEMBL6864127

SCHEMBL6864127

C[C@]12C[C@H](c3ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc3)[C@H]3[C@@H](CC=C4CC5(CC[C@@H]43)OCCO5)[C@@H]1CCC21OCCO1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.33
▸ PGR P06401 1/20 0.31

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
SCHEMBL8407074 0.92 PGR (0.33) AKR1C3PGR
SCHEMBL5891671 0.90 AKR1C3 (0.33) AKR1C3PGR
SCHEMBL7868038 0.90 AKR1C3 (0.34) AKR1C3PGR
SCHEMBL5891654 0.90 AKR1C3 (0.34) AKR1C3PGR
SCHEMBL5891664 0.86 AKR1C3 (0.46) AKR1C3
SCHEMBL8768216 0.85 AKR1C3 (0.32) AKR1C3
SCHEMBL8407252 0.84 PGR (0.37) PGR
SCHEMBL8768162 0.82 AKR1C3 (0.30) AKR1C3
SCHEMBL9169898 0.81 — —
SCHEMBL8425100 0.81 PGR (0.47) AKR1C3PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6806263-B2 NEW 17 ALPHA -FLUOROALKYL STEROIDS OF GENERAL FORMULA I AS ANTIESTROGENS SCHERING AG (DE) 2004-10-19 — — 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-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 (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-20030134834-A1 Antigestagenically active steroids with a fluorinated 17-alpha-alkyl chain HSD17B11, HSD3B1, CYP17A1 AKR1C3 90/4885PGR 71/4885
US-20020045774-A1 Antigestagenically active steroids with a fluorinated 17-alpha-alkyl chain HSD17B11, NR5A1, HSD3B1 AKR1C3 86/4885PGR 52/4885

“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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