SCHEMBL5489880

SCHEMBL5489880

C=CCC(C)[C@@]12CCC[C@H]1[C@@H]1CC=C3CCCC[C@]3(C)[C@H]1CC2

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.54
CYP1B1 Q16678 1/20 0.49
CYP17A1 P05093 1/20 0.40
GRIN1 Q05586 5/20 0.39
GRIN2B Q13224 5/20 0.39
GRIN2A Q12879 4/20 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
SCHEMBL184963 0.82 CYP19A1 (0.60) CYP19A1CYP1B1CYP17A1
SCHEMBL28263240 0.79 CYP19A1 (0.61) CYP19A1CYP1B1CYP17A1
SCHEMBL514563 0.78 CYP19A1 (0.54) CYP19A1CYP1B1CYP17A1
SCHEMBL6246806 0.76 CYP19A1 (0.55) CYP19A1CYP1B1CYP17A1
SCHEMBL26807214 0.76 CYP19A1 (0.67) CYP19A1CYP1B1
SCHEMBL32677703 0.76 CYP19A1 (0.67) CYP19A1CYP1B1
SCHEMBL4885211 0.76 CYP19A1 (0.67) CYP19A1CYP1B1
SCHEMBL606825 0.76 CYP19A1 (0.67) CYP19A1CYP1B1
SCHEMBL4871949 0.74 CYP19A1 (0.53) CYP19A1CYP1B1GRIN2BGRIN2A
SCHEMBL3130653 0.74 CYP17A1 (0.69) CYP19A1CYP1B1CYP17A1

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-20070077201-A1 Stem cell expansion and uses BIOVIE INC. 2007-04-05 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-20070077201-A1 Stem cell expansion and uses NES, CD44, FGF2 CYP19A1 4139/4885CYP1B1 4754/4885CYP17A1 2585/4885

“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.