SCHEMBL3750341

SCHEMBL3750341

C[C@]12CCC(=O)C=C1C=C[C@@H]1[C@H]2CC[C@]2(C)C(C#N)CC[C@@H]12

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.69
CYP3A4 P08684 2/20 0.69
ALDH1A1 P00352 1/20 0.69
CYP2C19 P33261 1/20 0.69
AR P10275 1/20 0.69
CHRM1 P11229 1/20 0.69
TBXA2R P21731 1/20 0.69
ADRA1A P35348 1/20 0.69
CYP19A1 P11511 8/20 0.63
NR3C1 P04150 2/20 0.55
CHRM2 P08172 1/20 0.55
OPRK1 P41145 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 2/20 0.49
LMNA P02545 1/20 0.49
PDE4D Q08499 1/20 0.49
SRD5A2 P31213 1/20 0.48
CYP17A1 P05093 3/20 0.41

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
SCHEMBL13046033 1.00 PGR (0.69) PGRCYP3A4ALDH1A1CYP2C19AR
SCHEMBL3744625 1.00 PGR (0.69) PGRCYP3A4ALDH1A1CYP2C19AR
SCHEMBL23638353 0.84 PGR (0.62) PGRCYP3A4ALDH1A1CYP2C19AR
SCHEMBL19625856 0.84 PGR (0.62) PGRCYP3A4ALDH1A1CYP2C19AR
SCHEMBL23223025 0.84 PGR (0.62) PGRCYP3A4ALDH1A1CYP2C19AR
SCHEMBL21367331 0.84 PGR (0.62) PGRCYP3A4ALDH1A1CYP2C19AR
SCHEMBL23563828 0.83 PGR (0.71) PGRCYP3A4ALDH1A1CYP2C19AR
SCHEMBL18767708 0.83 PGR (0.71) PGRCYP3A4ALDH1A1CYP2C19AR
SCHEMBL2045019 0.82 CYP3A4 (0.73) PGRCYP3A4ALDH1A1CYP2C19AR
SCHEMBL3364701 0.82 CYP3A4 (0.73) PGRCYP3A4ALDH1A1CYP2C19AR

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 claimed

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 PGR 61/4885CYP3A4 166/4885ALDH1A1 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.