SCHEMBL4216438

SCHEMBL4216438

C=C=C1CC(=O)C=C2CC[C@@H]3[C@H](CC[C@]4(C)CCC[C@@H]34)[C@@H]12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 5/20 0.41
▸ SHBG P04278 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ SERPINA6 P08185 2/20 0.36
▸ SLC22A1 O15245 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ ABCB11 O95342 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ MBOAT4 Q96T53 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
SCHEMBL10872697 0.85 CYP19A1 (0.44) CYP19A1SHBGALDH1A1SERPINA6SLC22A1
SCHEMBL3357142 0.85 CYP19A1 (0.44) CYP19A1SHBGALDH1A1SERPINA6SLC22A1
SCHEMBL9948541 0.81 CYP19A1 (0.42) CYP19A1SHBGALDH1A1SERPINA6SLC22A1
SCHEMBL6243005 0.80 CYP19A1 (0.41) CYP19A1SHBGALDH1A1SERPINA6SLC22A1
SCHEMBL9948841 0.79 CYP19A1 (0.41) CYP19A1SHBGALDH1A1SERPINA6SLC22A1
SCHEMBL9948798 0.79 CYP19A1 (0.41) CYP19A1SHBGALDH1A1SERPINA6SLC22A1
SCHEMBL9948812 0.75 CYP19A1 (0.44) CYP19A1SHBGALDH1A1SERPINA6SLC22A1
SCHEMBL11977689 0.74 CYP19A1 (0.66) CYP19A1SHBGALDH1A1SERPINA6SLC22A1
SCHEMBL922877 0.74 CYP19A1 (0.66) CYP19A1SHBGALDH1A1SERPINA6SLC22A1
SCHEMBL19608861 0.74 CYP19A1 (0.66) CYP19A1SHBGALDH1A1SERPINA6SLC22A1

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 CYP19A1 14/4885SHBG 31/4885ALDH1A1 678/4885

“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