SCHEMBL6794708

SCHEMBL6794708

O=C1c2cc(O)ccc2CC12Cc1ccc(O)cc1C2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.46
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CES2 O00748 2/20 0.41
ESR1 P03372 5/20 0.40
ESR2 Q92731 5/20 0.40
MAOB P27338 6/20 0.40
MAOA P21397 5/20 0.40
PRKCI P41743 1/20 0.40
UGT1A1 P22309 1/20 0.39
MAPT P10636 1/20 0.38
EGFR P00533 1/20 0.37

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
SCHEMBL6794055 0.91 ESR1 (0.44) PBRM1CA1CA2CA7CA9
SCHEMBL6806691 0.89 ESR2 (0.46) PBRM1CA1CA2CA7CA9
SCHEMBL6800174 0.87 PBRM1 (0.49) PBRM1CA1CA2CA7CA9
SCHEMBL6795670 0.85 CES2 (0.45) CA1CA2CA7CA9CES2
SCHEMBL6794474 0.81 ESR2 (0.45) CA1CA2CA7CA9ESR1
SCHEMBL27453676 0.80 PBRM1 (0.41) PBRM1CA1CA2CA7CA9
SCHEMBL6806169 0.80 MAOA (0.46) PBRM1CA1CA2CA7CA9
SCHEMBL17355128 0.80 ESR1 (0.42) PBRM1CA1CA2CA7CA9
SCHEMBL19737863 0.80 PBRM1 (0.47) PBRM1CA1CA2CA7CA9
SCHEMBL6799161 0.79 PBRM1 (0.47) PBRM1ESR1ESR2MAOBMAOA

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 PBRM1 4775/4885CA1 917/4885CA2 2206/4885

“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.