SCHEMBL5892062

SCHEMBL5892062

CC(=O)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[C@@H]3CC=C4CC5(CC[C@@H]4[C@H]32)OCCO5)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 7/20 0.42
▸ PGR P06401 7/20 0.35
▸ NR3C1 P04150 7/20 0.33
▸ CYP3A4 P08684 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 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
SCHEMBL5891679 0.95 AR (0.45) ARPGRNR3C1CYP3A4POLB
SCHEMBL6865376 0.95 AR (0.45) ARPGRNR3C1CYP3A4POLB
SCHEMBL5891654 0.87 AKR1C3 (0.34) ARPGRNR3C1CYP3A4
SCHEMBL7868038 0.87 AKR1C3 (0.34) ARPGRNR3C1CYP3A4
SCHEMBL5891671 0.84 AKR1C3 (0.33) ARPGRNR3C1
SCHEMBL5892047 0.79 AR (0.53) ARPGRNR3C1CYP3A4MAPT
SCHEMBL7871730 0.79 AR (0.53) ARPGRNR3C1CYP3A4MAPT
SCHEMBL6864127 0.76 AKR1C3 (0.33) PGR
SCHEMBL8410110 0.75 PGR (0.36) ARPGRNR3C1CYP3A4POLB
SCHEMBL5891966 0.75 PGR (0.36) ARPGRNR3C1CYP3A4POLB

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 AR 149/4885PGR 71/4885NR3C1 52/4885
US-20020045774-A1 Antigestagenically active steroids with a fluorinated 17-alpha-alkyl chain HSD17B11, NR5A1, HSD3B1 AR 186/4885PGR 52/4885NR3C1 31/4885
US-20050080060-A1 Antigestagenically active steroids with a fluorinated 17alpha-alkyl chain NR5A1, HSD17B11, CYP21A2 AR 126/4885PGR 40/4885NR3C1 17/4885

“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.

Send feedback