SCHEMBL3756860

SCHEMBL3756860

C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)C#N

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.69
MAPT P10636 2/20 0.69
CYP19A1 P11511 14/20 0.61
CYP3A4 P08684 1/20 0.61
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL27046916 0.88 LMNA (0.69) LMNAMAPTCYP19A1CYP3A4
SCHEMBL17775774 0.88 LMNA (0.69) LMNAMAPTCYP19A1CYP3A4
SCHEMBL27046918 0.87 LMNA (0.67) LMNAMAPTCYP19A1CYP3A4
SCHEMBL8939666 0.86 LMNA (0.73) LMNAMAPTCYP19A1CYP3A4HSD17B10
SCHEMBL17775770 0.84 LMNA (0.77) LMNAMAPTCYP19A1CYP3A4
SCHEMBL27046922 0.83 LMNA (0.75) LMNAMAPTCYP19A1CYP3A4HSD17B10
Methandrostenolone SCHEMBL4435272 0.81 LMNA (1.00) LMNAMAPTCYP19A1CYP3A4HSD17B10
Methandrostenolone SCHEMBL8408550 0.81 LMNA (1.00) LMNAMAPTCYP19A1CYP3A4HSD17B10
SCHEMBL5270893 0.81 LMNA (0.81) LMNAMAPTCYP19A1CYP3A4HSD17B10
Methandrostenolone SCHEMBL21177905 0.81 LMNA (1.00) LMNAMAPTCYP19A1CYP3A4HSD17B10

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 LMNA 3030/4885MAPT 4345/4885CYP19A1 14/4885

“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.