SCHEMBL3356468

SCHEMBL3356468

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nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.49
HSD17B1 P14061 1/20 0.40
CYP19A1 P11511 17/20 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
SCHEMBL9222958 1.00 SRD5A2 (0.49) SRD5A2HSD17B1CYP19A1
SCHEMBL6841928 0.91 SRD5A2 (0.47) SRD5A2HSD17B1CYP19A1
SCHEMBL6841929 0.91 SRD5A2 (0.47) SRD5A2HSD17B1CYP19A1
SCHEMBL9226232 0.84 SRD5A2 (0.68) SRD5A2CYP19A1
SCHEMBL9226234 0.84 SRD5A2 (0.68) SRD5A2CYP19A1
SCHEMBL16389403 0.83 SRD5A2 (0.39) SRD5A2CYP19A1
SCHEMBL4102408 0.83 SRD5A2 (0.39) SRD5A2CYP19A1
SCHEMBL17634422 0.83 SRD5A2 (0.39) SRD5A2CYP19A1
SCHEMBL15079262 0.83 SRD5A2 (0.39) SRD5A2CYP19A1
SCHEMBL2320541 0.81 SRD5A2 (0.36) SRD5A2

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
WO-1997023498-A1 18-METHYL 16-METHYLENE 19-NOR PREGNANE DERIVATIVES AS PROGESTINS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR THE PREPARATION THEREOF Richter Gedeon Vegyészeti Gyár Rt. (HU) 1997-07-03 WO claimed
EP-2178899-B1 17BETA-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE BAYER IP GMBH (DE) 2012-10-24 EP disclosed
WO-2010066354-A1 USE OF 17β-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVES FOR MANUFACTURING A MEDICAMENT IN A SUSTAINED-RELEASE FORM FOR PARENTERAL USE, AND SUSTAINED-RELEASE MEDICAMENT CONTAINING 17β-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVES FOR PARENTERAL USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-17 WO disclosed
EP-2178899-A1 17BETA-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE Bayer Schering Pharma Aktiengesellschaft (DE) 2010-04-28 EP disclosed
US-20090048218-A1 17Beta-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-02-19 US disclosed
WO-2008151745-A1 17BETA-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO disclosed
WO-1997023498-A1 18-METHYL 16-METHYLENE 19-NOR PREGNANE DERIVATIVES AS PROGESTINS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR THE PREPARATION THEREOF Richter Gedeon Vegyészeti Gyár Rt. (HU) 1997-07-03 WO disclosed
US-5438134-A Endocrine disorders, reproductive control JENAPHARM GMBH (DE) 1995-08-01 US disclosed
EP-0538348-A1 PROCESS FOR PRODUCING UNSATURATED 17-ALPHA-CYANOMETHYL-17-BETA-HYDROXYSTEROIDS. JENAPHARM GMBH (DE) 1993-04-28 EP disclosed
WO-1992000991-A1 PROCESS FOR PRODUCING UNSATURATED 17-ALPHA-CYANOMETHYL-17-BETA-HYDROXYSTEROIDS JENAPHARM GMBH (DE) 1992-01-23 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 (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-20090048218-A1 17Beta-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE HSD17B7, HSD17B11, CYP17A1 SRD5A2 14/4885HSD17B1 6/4885CYP19A1 9/4885

“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.