SCHEMBL3744584

SCHEMBL3744584

C=CCC1(C#N)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 6/20 0.58
NR3C1 P04150 5/20 0.58
ALDH1A1 P00352 5/20 0.58
PGR P06401 4/20 0.58
ADRA1A P35348 1/20 0.58
HTR2B P41595 1/20 0.58
SMN1; SMN2 Q16637 9/20 0.56
LMNA P02545 5/20 0.56
TSHR P16473 4/20 0.56
CYP2C19 P33261 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HIF1A Q16665 3/20 0.56
AR P10275 3/20 0.56
ESR1 P03372 2/20 0.56
THRB P10828 1/20 0.56
CYP19A1 P11511 4/20 0.55
BLM P54132 5/20 0.54
SERPINA6 P08185 4/20 0.54
MAPT P10636 3/20 0.54

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
SCHEMBL3744581 1.00 SHBG (0.58) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL11525718 0.82 SHBG (0.68) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL9309932 0.82 SHBG (0.68) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL3753711 0.81 SHBG (0.50) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL3750353 0.81 SHBG (0.49) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL3744063 0.80 SHBG (0.68) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL3744059 0.80 SHBG (0.68) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL3750362 0.80 CYP19A1 (0.48) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL4221138 0.79 PGR (0.57) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL24476211 0.78 SHBG (0.79) SHBGNR3C1ALDH1A1PGRADRA1A

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 24/4885NR3C1 30/4885ALDH1A1 1039/4885

“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.