SCHEMBL6573091

SCHEMBL6573091

CC1=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CCC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 1.00
TSHR P16473 1/20 0.74
THPO P40225 1/20 0.74
HIF1A Q16665 1/20 0.74
TDP1 Q9NUW8 1/20 0.74
CYP19A1 P11511 16/20 0.72
SHBG P04278 1/20 0.66

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
SCHEMBL12394388 1.00 CYP3A4 (1.00) CYP3A4TSHRTHPOHIF1ATDP1
SCHEMBL6573096 1.00 CYP3A4 (1.00) CYP3A4TSHRTHPOHIF1ATDP1
SCHEMBL11429950 0.87 CYP3A4 (0.76) CYP3A4TSHRTHPOHIF1ATDP1
SCHEMBL11429945 0.87 CYP3A4 (0.76) CYP3A4TSHRTHPOHIF1ATDP1
Formestane SCHEMBL13838287 0.85 CYP3A4 (1.00) CYP3A4TSHRTHPOHIF1ATDP1
Formestane SCHEMBL14291425 0.85 CYP3A4 (1.00) CYP3A4TSHRTHPOHIF1ATDP1
Formestane SCHEMBL947479 0.85 CYP3A4 (1.00) CYP3A4TSHRTHPOHIF1ATDP1
Formestane SCHEMBL22891821 0.85 CYP3A4 (1.00) CYP3A4TSHRTHPOHIF1ATDP1
Formestane SCHEMBL3230067 0.85 CYP3A4 (1.00) CYP3A4TSHRTHPOHIF1ATDP1
Formestane SCHEMBL25717 0.85 CYP3A4 (1.00) CYP3A4TSHRTHPOHIF1ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409512-A1 20-FLUORO-17(20)-VINYL STEROIDS AS INHIBITORS OF C17-20-LYASE AND 5-ALPHA REDUCTASE Aventis Pharma S.A. (FR) 2004-04-21 EP disclosed
US-6413951-B2 ENZYME INHIBITOR AVENTIS PHARMACEUTICALS, INC. 2002-07-02 US disclosed
US-20020019548-A1 20-Fluoro-17(20)-vinyl steroids AVENTIS PHARMA S.A. (FR) 2002-02-14 US disclosed
WO-2002000681-A1 20-FLUORO-17(20)-VINYL STEROIDS AS INHIBITORS OF C17-20-LYASE AND 5-ALPHA REDUCTASE AVENTIS PHARMA S.A. (FR) 2002-01-03 WO disclosed
EP-0650495-B1 IMPROVED ANTIANDROGENS ENDORECHERCHE INC (CA) 2000-11-08 EP disclosed
US-6015806-A TOPICAL USE IN THE TREATMENT OF ANDROGEN-DEPENDENT DISEASES ASSOCIATED WITH THE SKIN. ENDORECHERCHE (CA) 2000-01-18 US disclosed
EP-0650495-A1 IMPROVED ANTIANDROGENS ENDORECHERCHE INC. (CA) 1995-05-03 EP disclosed
WO-1994026767-A1 IMPROVED ANTIANDROGENS ENDORECHERCHE INC. (CA) 1994-11-24 WO disclosed
US-4904650-A Substituted androsta-1,4-diene-3,17-diones FARMITALIA CARLO ERBA S.P.A. (IT) 1990-02-27 US disclosed
US-4808616-A 6-substituted androsta-1,4-diene-3,17-diones FARMITALIA CARLO ERBA S.R.L. (IT) 1989-02-28 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 (1 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-20020019548-A1 20-Fluoro-17(20)-vinyl steroids CYP17A1, HSD17B11, HSD3B1 CYP3A4 167/4885TSHR 550/4885THPO 3473/4885

“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.