SCHEMBL3746524

SCHEMBL3746524

C=CCC1(C#N)C(=C)C(=C)[C@H]2[C@@H]3CC=C4C=C(OC)CC[C@]4(C)[C@@H]3CC[C@@]21C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.34
ESR1 P03372 3/20 0.32
AR P10275 3/20 0.32
ESR2 Q92731 3/20 0.32
SRD5A1 P18405 1/20 0.31
CYP19A1 P11511 1/20 0.31

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
SCHEMBL3754963 0.85 SRD5A2 (0.38) SRD5A2ESR1ARESR2SRD5A1
SCHEMBL3746520 0.78 SRD5A2 (0.35) SRD5A2ESR1ARESR2CYP19A1
SCHEMBL3235847 0.78 SRD5A2 (0.35) SRD5A2ESR1ARESR2SRD5A1
SCHEMBL3750362 0.77 CYP19A1 (0.48) ESR1ARCYP19A1
SCHEMBL3671812 0.74 SRD5A2 (0.44) SRD5A2ESR1ARESR2SRD5A1
SCHEMBL9623848 0.73 SRD5A2 (0.44) SRD5A2ESR1ARESR2
SCHEMBL9806094 0.72 SHBG (0.41) SRD5A2ESR1ARESR2SRD5A1
SCHEMBL15079257 0.72 SHBG (0.41) SRD5A2ESR1ARESR2SRD5A1
SCHEMBL3750377 0.72 SRD5A2 (0.39) SRD5A2ESR1ARESR2SRD5A1
SCHEMBL6899597 0.71 ESR1 (0.46) SRD5A2ESR1ARESR2SRD5A1

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 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 SRD5A2 15/4885ESR1 42/4885AR 73/4885

“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.