SCHEMBL3744597

SCHEMBL3744597

C[C@]12CCC(=O)C=C1[C@H](CO)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)C#N

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 19/20 0.54
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
NR3C1 P04150 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 1/20 0.50

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
SCHEMBL3744602 1.00 CYP19A1 (0.54) CYP19A1MEN1LMNANR3C1MAPT
SCHEMBL3754967 0.91 CYP19A1 (0.67) CYP19A1
SCHEMBL3746864 0.84 CYP19A1 (0.50) CYP19A1
SCHEMBL3746868 0.81 CYP19A1 (0.48) CYP19A1
SCHEMBL1422445 0.81 CYP19A1 (0.80) CYP19A1
SCHEMBL3953307 0.81 CYP19A1 (0.80) CYP19A1
SCHEMBL13046036 0.80 CYP19A1 (0.62) CYP19A1
SCHEMBL3749159 0.80 CYP19A1 (0.62) CYP19A1
SCHEMBL3749161 0.80 CYP19A1 (0.62) CYP19A1
SCHEMBL11646240 0.80 CYP19A1 (0.53) CYP19A1MEN1LMNANR3C1MAPT

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 CYP19A1 14/4885MEN1 965/4885LMNA 3030/4885

“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.