SCHEMBL3753677

SCHEMBL3753677

C=C1C(=C)C(C)(C#N)[C@@]2(C)CC[C@@H]3[C@@H](CC(=CO)C4=CC(=O)CC[C@@]43C)[C@H]12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.46
NR3C1 P04150 3/20 0.38
SHBG P04278 2/20 0.38
PGR P06401 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
CYP17A1 P05093 1/20 0.38
MEN1 O00255 3/20 0.37
LMNA P02545 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP2C19 P33261 2/20 0.37
HIF1A Q16665 2/20 0.37
THRB P10828 1/20 0.37
TSHR P16473 1/20 0.37
ESR1 P03372 1/20 0.37
AR P10275 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
SERPINA6 P08185 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
SCHEMBL3755170 0.80 CYP19A1 (0.54) CYP19A1NR3C1SHBGPGRALDH1A1
SCHEMBL3755167 0.80 CYP19A1 (0.54) CYP19A1NR3C1SHBGPGRALDH1A1
SCHEMBL3744648 0.80 SHBG (0.55) CYP19A1NR3C1SHBGPGRALDH1A1
SCHEMBL3746536 0.80 SHBG (0.55) CYP19A1NR3C1SHBGPGRALDH1A1
SCHEMBL3755171 0.80 CYP19A1 (0.54) CYP19A1NR3C1SHBGPGRALDH1A1
SCHEMBL3754207 0.80 CYP19A1 (0.47) CYP19A1NR3C1SHBGPGRALDH1A1
SCHEMBL3754511 0.78 CYP19A1 (0.47) CYP19A1NR3C1SHBGPGRALDH1A1
SCHEMBL3746868 0.77 CYP19A1 (0.48) CYP19A1
SCHEMBL3753673 0.77 CYP19A1 (0.50) CYP19A1NR3C1SHBGPGRALDH1A1
SCHEMBL3753671 0.77 CYP19A1 (0.50) CYP19A1NR3C1SHBGPGRALDH1A1

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 claimed

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 14/4885NR3C1 30/4885SHBG 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.