SCHEMBL6759835

SCHEMBL6759835

CCCCCOC(=O)c1cc(OC(=O)CCCC)c(OC(=O)CCCC)c(OC(=O)CCCC)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.54
AKR1C4 P17516 1/20 0.54
AKR1C3 P42330 1/20 0.54
AKR1C2 P52895 1/20 0.54
AKR1C1 Q04828 1/20 0.54
CNR2 P34972 2/20 0.47
CNR1 P21554 1/20 0.47

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
SCHEMBL6762449 0.97 ESR1 (0.54) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6766052 0.96 ESR1 (0.56) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6762899 0.96 ESR1 (0.54) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6761343 0.94 ESR1 (0.52) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6761242 0.94 ESR1 (0.54) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6763968 0.93 ESR1 (0.52) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6761221 0.93 ESR1 (0.47) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6759786 0.92 ESR1 (0.47) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6761384 0.90 ESR1 (0.49) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6763124 0.90 ESR1 (0.55) ESR1AKR1C4AKR1C3AKR1C2AKR1C1

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-20040247698-A1 Erectile Dysfunction Treatment VALENZUELA CORTES CARMEN MARIA (CL) 2004-12-09 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-20040247698-A1 Erectile Dysfunction Treatment PDE3A, PDE3B, PDE12 ESR1 189/4885AKR1C4 2439/4885AKR1C3 2635/4885

“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.