SCHEMBL3645281

SCHEMBL3645281

COC1=CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)C[C@H](OC(C)=O)[C@@H]34)[C@H]2CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.45
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.37
CYP19A1 P11511 13/20 0.36
SHBG P04278 1/20 0.33
CYP17A1 P05093 1/20 0.32
DPP4 P27487 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
SCHEMBL2319038 0.87 SRD5A2 (0.39) SRD5A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL2339044 0.87 SRD5A2 (0.39) SRD5A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL2334303 0.79 SRD5A2 (0.38) SRD5A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL2318525 0.79 SRD5A2 (0.38) SRD5A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL3643478 0.79 CYP19A1 (0.55) CYP3A4CYP2C19ALDH1A1CYP19A1SHBG
SCHEMBL3359727 0.79 CYP3A4 (0.45) SRD5A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL3238794 0.79 CYP3A4 (0.45) SRD5A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL10532677 0.77 SRD5A2 (0.37) SRD5A2
SCHEMBL12973080 0.76 SRD5A2 (0.39) SRD5A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL12904891 0.76 SRD5A2 (0.43) SRD5A2ALDH1A1CYP19A1SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170925-B1 17ß -CYANO-19-NOR-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE BAYER IP GMBH (DE) 2012-10-24 EP disclosed
US-8207150-B2 17β-cyano-19-nor-androst-4-ene derivative, its use and medicaments comprising the derivative Bayer Pharma AG (DE) 2012-06-26 US disclosed
EP-2170925-A2 17ß -CYANO-19-NOR-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE Bayer Schering Pharma Aktiengesellschaft (DE) 2010-04-07 EP disclosed
US-20090048217-A1 17Beta-CYANO-19-NOR-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-02-19 US disclosed
WO-2008151746-A2 17β-CYANO-19-NOR-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 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-20090048217-A1 17Beta-CYANO-19-NOR-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE HSD17B11, HSD17B7, NR5A1 SRD5A2 12/4885CYP3A4 142/4885CYP2C9 193/4885

“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.