SCHEMBL3746536

SCHEMBL3746536

C=C1C(=C)C(C)(C#N)[C@@]2(C)CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 6/20 0.55
ALDH1A1 P00352 5/20 0.55
NR3C1 P04150 4/20 0.55
PGR P06401 3/20 0.55
ADRA1A P35348 2/20 0.55
HTR2B P41595 2/20 0.55
CYP17A1 P05093 2/20 0.53
LMNA P02545 6/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
CYP19A1 P11511 5/20 0.53
SERPINA6 P08185 4/20 0.53
MAPK1 P28482 4/20 0.53
TSHR P16473 4/20 0.53
BLM P54132 3/20 0.53
PMP22 Q01453 3/20 0.53
NPSR1 Q6W5P4 3/20 0.53
HSD17B3 P37058 2/20 0.53
SNCA P37840 2/20 0.53
HSD17B10 Q99714 2/20 0.53
CYP2C19 P33261 3/20 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
SCHEMBL3744648 1.00 SHBG (0.55) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL3758866 0.86 CYP19A1 (0.52) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL3746805 0.86 CYP19A1 (0.52) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL9128195 0.84 SHBG (0.64) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL3750362 0.83 CYP19A1 (0.48) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL3746868 0.80 CYP19A1 (0.48) CYP19A1
SCHEMBL3753677 0.80 CYP19A1 (0.46) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL11507966 0.79 SHBG (0.55) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL3243257 0.78 SHBG (0.54) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL3356958 0.78 SHBG (0.54) SHBGALDH1A1NR3C1PGRADRA1A

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 SHBG 24/4885ALDH1A1 1039/4885NR3C1 30/4885

“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.