SCHEMBL13046037

SCHEMBL13046037

C[C@]12CCC(=O)C=C1CCC1C2CC[C@@]2(C)C1CC[C@@H]2C#N

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 5/20 0.69
LMNA P02545 8/20 0.69
CYP3A4 P08684 6/20 0.69
HSD17B10 Q99714 6/20 0.69
TSHR P16473 5/20 0.69
SHBG P04278 5/20 0.69
SERPINA6 P08185 5/20 0.69
MAPK1 P28482 5/20 0.69
MAPT P10636 4/20 0.69
CYP19A1 P11511 4/20 0.69
SNCA P37840 4/20 0.69
NR3C1 P04150 3/20 0.69
PGR P06401 3/20 0.69
AR P10275 3/20 0.69
GPBAR1 Q8TDU6 3/20 0.69
SIGMAR1 Q99720 3/20 0.69
CACNA1C Q13936 2/20 0.69
CYP51A1 Q16850 2/20 0.69
OR51E2 Q9H255 1/20 0.69
SMN1; SMN2 Q16637 6/20 0.68

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
SCHEMBL3373116 1.00 CYP17A1 (0.69) CYP17A1LMNACYP3A4HSD17B10TSHR
SCHEMBL3748842 1.00 CYP17A1 (0.69) CYP17A1LMNACYP3A4HSD17B10TSHR
SCHEMBL8994128 0.89 LMNA (0.70) CYP17A1LMNACYP3A4HSD17B10TSHR
Itruvone SCHEMBL18708951 0.88 LMNA (0.69) CYP17A1LMNACYP3A4HSD17B10TSHR
Itruvone SCHEMBL15853688 0.88 LMNA (0.69) CYP17A1LMNACYP3A4HSD17B10TSHR
Itruvone SCHEMBL6819079 0.88 LMNA (0.69) CYP17A1LMNACYP3A4HSD17B10TSHR
SCHEMBL8369956 0.87 LMNA (0.67) CYP17A1LMNACYP3A4HSD17B10TSHR
SCHEMBL8369957 0.87 LMNA (0.67) CYP17A1LMNACYP3A4HSD17B10TSHR
SCHEMBL10929607 0.86 LMNA (0.66) CYP17A1LMNACYP3A4HSD17B10TSHR
SCHEMBL10929618 0.86 LMNA (0.66) CYP17A1LMNACYP3A4HSD17B10TSHR

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 3 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 disclosed
WO-2010066349-A1 USE OF 17BETA-CYANO-19-ANDROST-4-ENE DERIVATIVES FOR MANUFACTURING A MEDICAMENT IN A SUSTAINED-RELEASE FORM FOR PARENTERAL USE, AND SUSTAINED-RELEASE MEDICAMENT CONTAINING 17BETA-CYANO-19-ANDROST-4-ENE DERIVATIVES FOR PARENTERAL USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-17 WO disclosed
WO-2008152112-A2 17ß-CYANO-19-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO 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 CYP17A1 4/4885LMNA 3030/4885CYP3A4 166/4885

“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.