SCHEMBL5892047

SCHEMBL5892047

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]3CCC4=CC(=O)CC[C@@H]4[C@H]32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 9/20 0.53
▸ PGR P06401 11/20 0.53
▸ NR3C1 P04150 10/20 0.53
▸ CYP3A4 P08684 3/20 0.50
▸ LMNA P02545 2/20 0.40
▸ ABCB11 O95342 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ SHBG P04278 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ CHRM2 P08172 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ TBXA2R P21731 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39

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
SCHEMBL7871730 1.00 AR (0.53) ARPGRNR3C1CYP3A4LMNA
SCHEMBL2122881 0.95 AR (0.59) ARPGRNR3C1CYP3A4LMNA
SCHEMBL7535727 0.88 PGR (0.54) ARPGRNR3C1CYP3A4LMNA
SCHEMBL7535722 0.88 PGR (0.54) ARPGRNR3C1CYP3A4LMNA
SCHEMBL5498072 0.87 PGR (0.53) ARPGRNR3C1CYP3A4LMNA
SCHEMBL7868041 0.87 PGR (0.53) ARPGRNR3C1CYP3A4LMNA
SCHEMBL5498073 0.87 PGR (0.53) ARPGRNR3C1CYP3A4LMNA
SCHEMBL7868044 0.87 PGR (0.53) ARPGRNR3C1CYP3A4LMNA
SCHEMBL5499190 0.85 PGR (0.56) ARPGRNR3C1CYP3A4LMNA
SCHEMBL5498061 0.85 PGR (0.52) ARPGRNR3C1CYP3A4LMNA

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.

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