SCHEMBL6794061

SCHEMBL6794061

CC1c2cc(O)ccc2CC12Cc1ccc(O)cc1C2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.37
OPRD1 P41143 4/20 0.37
OPRK1 P41145 4/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MRGPRX2 Q96LB1 4/20 0.35
SIGMAR1 Q99720 3/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
DRD4 P21917 1/20 0.35

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
SCHEMBL6795255 0.90 OPRM1 (0.37) OPRM1OPRD1OPRK1ESR1ESR2
SCHEMBL6800364 0.87 ESR1 (0.38) ESR1ESR2DRD2DRD3
SCHEMBL6798125 0.81 ESR1 (0.39) OPRM1ESR1ESR2
SCHEMBL6794698 0.79 MEN1 (0.40) OPRM1OPRD1OPRK1ESR1ESR2
SCHEMBL6798568 0.78 OPRM1 (0.39) OPRM1OPRD1OPRK1ESR1ESR2
SCHEMBL7073179 0.78 ESR1 (0.38) OPRM1OPRD1OPRK1ESR1ESR2
SCHEMBL6794695 0.74 OPRM1 (0.37) OPRM1OPRD1OPRK1ESR1ESR2
SCHEMBL6796424 0.74 SHBG (0.40) ESR1ESR2DRD2DRD3DRD4
SCHEMBL6800542 0.72 DYRK1A (0.35) OPRM1OPRD1OPRK1ESR1ESR2
SCHEMBL6800177 0.72 ESR2 (0.38) OPRD1ESR1ESR2

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
US-20040082642-A1 Novel estrogen receptor ligands and method III MERCK & CO., INC. 2004-04-29 US claimed
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 OPRM1 1180/4885OPRD1 463/4885OPRK1 348/4885

“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.