SCHEMBL4224696

SCHEMBL4224696

C=C1C[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 10/20 0.54
▸ PGR P06401 7/20 0.54
▸ NR3C2 P08235 3/20 0.54
▸ CYP19A1 P11511 6/20 0.37
▸ SLC22A1 O15245 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SHBG P04278 1/20 0.34
▸ SERPINA6 P08185 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL13372776 0.84 AR (0.53) ARPGRNR3C2CYP19A1SHBG
SCHEMBL2929841 0.82 AR (0.57) ARPGRNR3C2CYP19A1SLC22A1
SCHEMBL13217275 0.82 AR (0.57) ARPGRNR3C2CYP19A1SLC22A1
SCHEMBL13809834 0.78 AR (0.58) ARPGRNR3C2CYP19A1
SCHEMBL1656805 0.78 AR (0.58) ARPGRNR3C2CYP19A1
SCHEMBL12638972 0.76 AR (0.56) ARPGRNR3C2CYP19A1SLC22A1
SCHEMBL4220631 0.76 CYP19A1 (0.60) ARPGRNR3C2CYP19A1SLC22A1
SCHEMBL7703808 0.75 SHBG (0.59) ARPGRNR3C2CYP19A1SLC22A1
SCHEMBL2832958 0.75 SHBG (0.59) ARPGRNR3C2CYP19A1SLC22A1
SCHEMBL13474816 0.75 AR (0.55) ARPGRNR3C2CYP19A1SLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 AR 109/4885PGR 87/4885NR3C2 15/4885

“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.

Send feedback