SCHEMBL6798568

SCHEMBL6798568

CC1c2ccc(O)cc2C(C)C12Cc1ccc(O)cc1C2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.39
OPRD1 P41143 5/20 0.39
OPRK1 P41145 5/20 0.39
SHBG P04278 1/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 1/20 0.35
SIGMAR1 Q99720 3/20 0.35
MRGPRX2 Q96LB1 2/20 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
SCHEMBL6794695 0.89 OPRM1 (0.37) OPRM1OPRD1OPRK1SHBGESR1
SCHEMBL6801524 0.85 OPRM1 (0.37) OPRM1OPRD1OPRK1SHBGESR1
SCHEMBL6797675 0.83 SHBG (0.44) OPRM1OPRD1OPRK1SHBGESR1
SCHEMBL6795255 0.78 OPRM1 (0.37) OPRM1OPRD1OPRK1SHBGESR1
SCHEMBL6794061 0.78 OPRM1 (0.37) OPRM1OPRD1OPRK1ESR1ESR2
SCHEMBL6798125 0.73 ESR1 (0.39) OPRM1SHBGESR1ESR2
SCHEMBL6800364 0.73 ESR1 (0.38) ESR1ESR2
SCHEMBL6800177 0.71 ESR2 (0.38) OPRD1ESR1ESR2
SCHEMBL6800542 0.71 DYRK1A (0.35) OPRM1OPRD1OPRK1ESR1ESR2
SCHEMBL7073179 0.70 ESR1 (0.38) OPRM1OPRD1OPRK1SHBGESR1

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.