SCHEMBL6247205

SCHEMBL6247205

CCCC[C@H]1CCC[C@@]2(C)c3ccc(O)cc3CC[C@H]12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.46
ESR2 Q92731 3/20 0.43
ESR1 P03372 2/20 0.43
CYP19A1 P11511 2/20 0.42
NR3C1 P04150 3/20 0.42
STS P08842 6/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
SHBG P04278 1/20 0.40
HSD17B1 P14061 3/20 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
SCHEMBL6264561 1.00 SOD1 (0.46) SOD1ESR2ESR1CYP19A1NR3C1
SCHEMBL6250110 1.00 SOD1 (0.46) SOD1ESR2ESR1CYP19A1NR3C1
SCHEMBL6249723 1.00 SOD1 (0.46) SOD1ESR2ESR1CYP19A1NR3C1
SCHEMBL6248679 1.00 SOD1 (0.46) SOD1ESR2ESR1CYP19A1NR3C1
Bicarbonate SCHEMBL7026810 0.75 SOD1 (0.54) SOD1ESR2ESR1CYP19A1NR3C1
SCHEMBL7213776 0.74 SHBG (0.55) SOD1ESR2ESR1CYP19A1NR3C1
SCHEMBL6247117 0.71 ESR1 (0.49) SOD1ESR2ESR1CYP19A1NR3C1
SCHEMBL15945865 0.71 ESR1 (0.74) SOD1ESR2ESR1CYP19A1NR3C1
SCHEMBL6282209 0.70 SOD1 (0.66) SOD1CYP19A1NR1H2NR1H3
SCHEMBL31481794 0.70 NR1H2 (0.52) NR1H2NR1H3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399406-B1 NOVEL ESTROGEN RECEPTOR LIGANDS AND METHODS I KAROBIO AB (SE) 2005-08-10 EP claimed
US-20040127576-A1 Estrogen receptor modulators KARO BIO AB (SE) 2004-07-01 US claimed
EP-1399406-B1 NOVEL ESTROGEN RECEPTOR LIGANDS AND METHODS I KAROBIO AB (SE) 2005-08-10 EP disclosed
US-20040127576-A1 Estrogen receptor modulators KARO BIO AB (SE) 2004-07-01 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-20040127576-A1 Estrogen receptor modulators GPER1, ESRRA, ESRRB SOD1 4581/4885ESR2 4/4885ESR1 6/4885

“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.