SCHEMBL3750362

SCHEMBL3750362

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.48
SHBG P04278 7/20 0.48
ALDH1A1 P00352 5/20 0.48
NR3C1 P04150 4/20 0.48
PGR P06401 3/20 0.48
ADRA1A P35348 2/20 0.48
HTR2B P41595 2/20 0.48
CYP17A1 P05093 1/20 0.48
LMNA P02545 7/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
TSHR P16473 5/20 0.47
CYP2C19 P33261 4/20 0.47
HIF1A Q16665 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
AR P10275 2/20 0.47
THRB P10828 1/20 0.47
ESR1 P03372 1/20 0.47
SERPINA6 P08185 5/20 0.47
HSD17B10 Q99714 4/20 0.47

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
SCHEMBL3758866 0.90 CYP19A1 (0.52) CYP19A1SHBGALDH1A1NR3C1PGR
SCHEMBL3746805 0.90 CYP19A1 (0.52) CYP19A1SHBGALDH1A1NR3C1PGR
SCHEMBL3746536 0.83 SHBG (0.55) CYP19A1SHBGALDH1A1NR3C1PGR
SCHEMBL3744648 0.83 SHBG (0.55) CYP19A1SHBGALDH1A1NR3C1PGR
SCHEMBL3744584 0.80 SHBG (0.58) CYP19A1SHBGALDH1A1NR3C1PGR
SCHEMBL3744581 0.80 SHBG (0.58) CYP19A1SHBGALDH1A1NR3C1PGR
SCHEMBL9128195 0.78 SHBG (0.64) CYP19A1SHBGALDH1A1NR3C1PGR
SCHEMBL3753711 0.77 SHBG (0.50) CYP19A1SHBGALDH1A1NR3C1PGR
SCHEMBL3746524 0.77 SRD5A2 (0.34) CYP19A1ARESR1
SCHEMBL3750353 0.77 SHBG (0.49) CYP19A1SHBGALDH1A1NR3C1PGR

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 CYP19A1 14/4885SHBG 24/4885ALDH1A1 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.