SCHEMBL6793856

SCHEMBL6793856

CCC1(O)c2cc(O)ccc2CC12C=C1CC=C(O)C=C1C2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 10/20 0.34
ESR1 P03372 3/20 0.32
ESR2 Q92731 3/20 0.32
PGR P06401 2/20 0.32
AR P10275 1/20 0.30

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
SCHEMBL6793852 0.67 ESR2 (0.38) NR3C1ESR1ESR2
SCHEMBL7078470 0.67 OPRM1 (0.33)
SCHEMBL7072760 0.66 OPRM1 (0.33) NR3C1ESR1ESR2
SCHEMBL7078445 0.66 PBRM1 (0.36) ESR1ESR2
SCHEMBL7076088 0.64 SHBG (0.33)
SCHEMBL7070791 0.63 ESR2 (0.38) ESR1ESR2
SCHEMBL7072886 0.60
SCHEMBL7074724 0.59 KDM4E (0.30) ESR1ESR2
SCHEMBL6799265 0.58 ESR2 (0.43) ESR1ESR2
SCHEMBL7074686 0.57 ESR2 (0.38) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082642-A1 Novel estrogen receptor ligands and method III MERCK & CO., INC. 2004-04-29 US disclosed
EP-1339662-A1 NOVEL ESTROGEN RECEPTOR LIGANDS AND METHODS III KARO BIO AB (SE) 2003-09-03 EP disclosed
WO-2002046134-A1 NOVEL ESTROGEN RECEPTOR LIGANDS AND METHODS III KARO BIO AB (SE) 2002-06-13 WO 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-20040082642-A1 Novel estrogen receptor ligands and method III ESRRA, ESRRB, FSHR NR3C1 101/4885ESR1 19/4885ESR2 5/4885

“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.