SCHEMBL13804516

SCHEMBL13804516

CC1CC2=CC(=O)CCC2C2C1C1CCC(=O)[C@@]1(C)C[C@@H]2F

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.49
AR P10275 5/20 0.45
PGR P06401 3/20 0.41
NR3C2 P08235 1/20 0.41
SHBG P04278 1/20 0.39

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
SCHEMBL1897274 1.00 CYP19A1 (0.49) CYP19A1ARPGRNR3C2SHBG
SCHEMBL4588011 1.00 CYP19A1 (0.49) CYP19A1ARPGRNR3C2SHBG
SCHEMBL6376819 0.89 CYP19A1 (0.52) CYP19A1ARPGRNR3C2SHBG
SCHEMBL4586771 0.86 AR (0.50) CYP19A1ARPGRNR3C2SHBG
SCHEMBL14342102 0.86 AR (0.50) CYP19A1ARPGRNR3C2SHBG
SCHEMBL4588578 0.86 CYP19A1 (0.49) CYP19A1ARPGRNR3C2SHBG
SCHEMBL10943281 0.85 CYP19A1 (0.46) CYP19A1ARPGRNR3C2SHBG
SCHEMBL4588291 0.85 CYP19A1 (0.45) CYP19A1ARPGRNR3C2
SCHEMBL10947171 0.84 CYP19A1 (0.47) CYP19A1ARPGRNR3C2SHBG
SCHEMBL908750 0.82 CYP19A1 (0.64) CYP19A1PGRSHBG

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-20090156843-A1 PROCESS FOR AROMATIZING 19-NORANDROST-4-EN-3-ONES TO ESTRA-1,3,5(10)-TRIENES BAYER SCHERING PHARMA AG (DE) 2009-06-18 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-20090156843-A1 PROCESS FOR AROMATIZING 19-NORANDROST-4-EN-3-ONES TO ESTRA-1,3,5(10)-TRIENES CYP19A1, HSD17B11, NR5A1 CYP19A1 1/4885AR 19/4885PGR 164/4885

“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.