SCHEMBL3753845

SCHEMBL3753845

CCC1CC2=CC(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)C(C#N)CC[C@H]3[C@H]12

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.58
CYP19A1 P11511 11/20 0.55
SHBG P04278 1/20 0.53
CYP17A1 P05093 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
AR P10275 1/20 0.44

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
SCHEMBL3753842 1.00 CYP3A4 (0.58) CYP3A4CYP19A1SHBGCYP17A1MEN1
SCHEMBL3753990 0.86 SHBG (0.71) CYP3A4CYP19A1SHBGCYP17A1MEN1
SCHEMBL3753985 0.86 SHBG (0.71) CYP3A4CYP19A1SHBGCYP17A1MEN1
SCHEMBL25863917 0.85 CYP3A4 (0.62) CYP3A4CYP19A1SHBGMEN1KMT2A
SCHEMBL25863918 0.85 CYP3A4 (0.62) CYP3A4CYP19A1SHBGMEN1KMT2A
SCHEMBL24102509 0.84 CYP3A4 (0.80) CYP3A4CYP19A1SHBGAR
SCHEMBL7613139 0.84 CYP3A4 (0.80) CYP3A4CYP19A1SHBGAR
SCHEMBL25863598 0.84 CYP3A4 (0.80) CYP3A4CYP19A1SHBGAR
SCHEMBL24102536 0.84 CYP3A4 (0.80) CYP3A4CYP19A1SHBGAR
SCHEMBL7613135 0.84 CYP3A4 (0.80) CYP3A4CYP19A1SHBGAR

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-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 claimed
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 CYP3A4 166/4885CYP19A1 14/4885SHBG 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.