SCHEMBL3749161

SCHEMBL3749161

C[C@]12CCC(=O)C=C1C(CO)C[C@@H]1[C@H]2CC[C@]2(C)C(C#N)CC[C@@H]12

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 16/20 0.62
CYP3A4 P08684 1/20 0.55
SHBG P04278 1/20 0.54
SERPINA6 P08185 1/20 0.54
AR P10275 1/20 0.53

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
SCHEMBL3749159 1.00 CYP19A1 (0.62) CYP19A1CYP3A4SHBGSERPINA6AR
SCHEMBL13046036 1.00 CYP19A1 (0.62) CYP19A1CYP3A4SHBGSERPINA6AR
SCHEMBL13046032 0.91 CYP19A1 (0.72) CYP19A1CYP3A4
SCHEMBL3744536 0.91 CYP19A1 (0.72) CYP19A1CYP3A4
SCHEMBL10407031 0.84 SERPINA6 (0.76) CYP19A1CYP3A4SHBGSERPINA6AR
SCHEMBL3742147 0.82 CYP19A1 (0.52) CYP19A1CYP3A4
SCHEMBL3744658 0.82 CYP19A1 (0.52) CYP19A1CYP3A4
SCHEMBL3742150 0.81 CYP19A1 (0.51) CYP19A1CYP3A4
SCHEMBL3744602 0.80 CYP19A1 (0.54) CYP19A1
SCHEMBL3744597 0.80 CYP19A1 (0.54) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292184-A1 17BETA-CYANO-19-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE BAYER SCHERING PHARMA AG (DE) 2010-11-18 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-20100292184-A1 17BETA-CYANO-19-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE HSD17B11, HSD17B7, NR5A1 CYP19A1 14/4885CYP3A4 166/4885SHBG 24/4885

“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.