SCHEMBL5891664

SCHEMBL5891664

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]1CCC2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.46
▸ MAPT P10636 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ STS P08842 6/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ ABCC4 O15439 1/20 0.34
▸ ABCC1 P33527 1/20 0.34
▸ SLCO1B1 Q9Y6L6 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA6 P23280 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP19A1 P11511 2/20 0.33
▸ LMNA P02545 2/20 0.32
▸ HSD17B1 P14061 1/20 0.32
▸ RECQL P46063 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
SCHEMBL9174030 0.92 MAPT (0.42) AKR1C3MAPTPOLBSTSCA1
SCHEMBL6864127 0.86 AKR1C3 (0.33) AKR1C3
SCHEMBL7868038 0.85 AKR1C3 (0.34) AKR1C3ESR1ESR2CYP3A4
SCHEMBL5891654 0.85 AKR1C3 (0.34) AKR1C3ESR1ESR2CYP3A4
SCHEMBL8653835 0.84 MAPT (0.46) MAPTPOLBSTSCYP2C9ABCC4
SCHEMBL5891671 0.84 AKR1C3 (0.33) AKR1C3
SCHEMBL9178008 0.82 POLB (0.48) MAPTPOLBCYP2C9CYP19A1LMNA
SCHEMBL8653911 0.82 MAPT (0.48) AKR1C3MAPTPOLBSTSCYP2C9
SCHEMBL8654083 0.82 MAPT (0.42) MAPTPOLBSTSCA1CA2
SCHEMBL8768216 0.81 AKR1C3 (0.32) AKR1C3

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 11 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
US-5405979-A Stereoselectively reducing phenyl-substituted estradiene with electropositive metal in electron-solvating solvent, cleaving ketone protective group with acid SCHERING AKTIENGESELLSCHAFT (DE) 1995-04-11 — — US disclosed
EP-0532562-B1 PROCESS FOR PRODUCING 10$g(b)-H-STEROIDS SCHERING AG (DE) 1994-11-23 — — EP disclosed
WO-1991018918-A1 PROCESS FOR PRODUCING 10β-H-STEROIDS SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-12-12 — — WO 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 AKR1C3 90/4885MAPT 4877/4885POLB 283/4885
US-20020045774-A1 Antigestagenically active steroids with a fluorinated 17-alpha-alkyl chain HSD17B11, NR5A1, HSD3B1 AKR1C3 86/4885MAPT 4871/4885POLB 478/4885
US-20050080060-A1 Antigestagenically active steroids with a fluorinated 17alpha-alkyl chain NR5A1, HSD17B11, CYP21A2 AKR1C3 45/4885MAPT 4863/4885POLB 787/4885

“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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