SCHEMBL5891966

SCHEMBL5891966

C[C@]12C[C@H](c3ccc(O)cc3)C3C4CCC5(CC4=CCC3C1CCC21OCCO1)OCCO5

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 6/20 0.36
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NR3C1 P04150 6/20 0.33
▸ AR P10275 5/20 0.33
▸ CYP3A4 P08684 1/20 0.30

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
SCHEMBL8410110 1.00 PGR (0.36) PGRPOLBMAPTNR3C1AR
SCHEMBL8407179 0.92 PGR (0.36) PGRPOLBMAPTNR3C1AR
SCHEMBL8407252 0.91 PGR (0.37) PGRPOLBMAPTNR3C1AR
SCHEMBL8410127 0.90 PGR (0.47) PGRPOLBMAPTNR3C1AR
SCHEMBL8407329 0.85 POLB (0.35) POLBMAPTAR
SCHEMBL8407074 0.84 PGR (0.33) PGRPOLBMAPTNR3C1AR
SCHEMBL9273347 0.82 POLB (0.34) POLBMAPT
SCHEMBL7938353 0.82 POLB (0.34) POLBMAPT
SCHEMBL7949847 0.81 POLB (0.34) POLBMAPTAR
SCHEMBL8767744 0.81 PGR (0.32) PGR

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 8 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 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-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 (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-20030134834-A1 Antigestagenically active steroids with a fluorinated 17-alpha-alkyl chain HSD17B11, HSD3B1, CYP17A1 PGR 71/4885POLB 283/4885MAPT 4877/4885
US-20020045774-A1 Antigestagenically active steroids with a fluorinated 17-alpha-alkyl chain HSD17B11, NR5A1, HSD3B1 PGR 52/4885POLB 478/4885MAPT 4871/4885
US-20050080060-A1 Antigestagenically active steroids with a fluorinated 17alpha-alkyl chain NR5A1, HSD17B11, CYP21A2 PGR 40/4885POLB 787/4885MAPT 4863/4885

“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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