SCHEMBL4220650

SCHEMBL4220650

CC1(C)CC(=O)C=C2CC[C@@H]3[C@H](CC[C@]4(C)CCC[C@@H]34)[C@H]21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 5/20 0.45
▸ SERPINA6 P08185 2/20 0.40
▸ SHBG P04278 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ SLC22A1 O15245 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ MBOAT4 Q96T53 3/20 0.37
▸ LMNA P02545 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HIF1A Q16665 1/20 0.36

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
SCHEMBL9543830 0.88 CYP19A1 (0.44) CYP19A1SERPINA6SHBGALDH1A1SLC22A1
SCHEMBL3645097 0.83 CYP19A1 (0.41) CYP19A1SERPINA6SHBGALDH1A1SLC22A1
SCHEMBL7647438 0.81 CYP19A1 (0.64) CYP19A1SERPINA6SHBGALDH1A1LMNA
SCHEMBL26425075 0.79 CYP19A1 (0.66) CYP19A1SERPINA6SHBGALDH1A1SLC22A1
SCHEMBL13216466 0.79 CYP19A1 (0.66) CYP19A1SERPINA6SHBGALDH1A1SLC22A1
SCHEMBL922877 0.79 CYP19A1 (0.66) CYP19A1SERPINA6SHBGALDH1A1SLC22A1
SCHEMBL19608861 0.79 CYP19A1 (0.66) CYP19A1SERPINA6SHBGALDH1A1SLC22A1
SCHEMBL11977689 0.79 CYP19A1 (0.66) CYP19A1SERPINA6SHBGALDH1A1SLC22A1
SCHEMBL6301566 0.78 CYP19A1 (0.44) CYP19A1SERPINA6SHBGALDH1A1SLC22A1
SCHEMBL3453459 0.78 SERPINA6 (0.67) CYP19A1SERPINA6SHBGALDH1A1SLC22A1

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
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-1846434-B1 NANDROLONE 17ß-CARBONATES US GOV HEALTH & HUMAN SERV (US) 2009-03-25 — — 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
EP-1846434-A1 NANDROLONE 17ß-CARBONATES Government of the United States of America, Represented by the Secretary, Department of Health and Human Services (US) 2007-10-24 — — EP disclosed
WO-2006083618-A1 NANDROLONE 17ß-CARBONATES GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-08-10 — — 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 CYP19A1 14/4885SERPINA6 860/4885SHBG 31/4885

“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.

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