SCHEMBL5428232

SCHEMBL5428232

CC12CCC(=O)C(Br)=C1c1ccc3[nH]ncc3c1C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 1.00
ESR2 Q92731 20/20 1.00

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
SCHEMBL5438515 0.87 ESR1 (1.00) ESR1ESR2
SCHEMBL5421745 0.83 ESR2 (1.00) ESR1ESR2
SCHEMBL5425066 0.81 ESR1 (1.00) ESR1ESR2
SCHEMBL5428947 0.80 ESR2 (1.00) ESR1ESR2
SCHEMBL5582295 0.78 ESR1 (0.79) ESR1ESR2
SCHEMBL1658311 0.73 ESR1 (1.00) ESR1ESR2
SCHEMBL5441515 0.73 ESR1 (1.00) ESR1ESR2
SCHEMBL5424359 0.72 ESR2 (1.00) ESR1ESR2
SCHEMBL5427178 0.71 ESR1 (1.00) ESR1ESR2
SCHEMBL5726262 0.70 ESR1 (0.72) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339683-B1 ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2006-06-14 EP claimed
EP-1339683-A4 ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2005-07-27 EP claimed
EP-1339683-A2 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2003-09-03 EP claimed
WO-2002041835-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2002-05-30 WO claimed
US-20070191438-A1 Methods for the treatment of hypertension ROHRER SUSAN P 2007-08-16 US disclosed
EP-1734958-A1 METHODS FOR THE TREATMENT OF HYPERTENSION Merck & Co., Inc. (US) 2006-12-27 EP disclosed
EP-1735286-A1 TETRAHYDRO-INDAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-27 EP disclosed
EP-1339683-B1 ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2006-06-14 EP disclosed
WO-2005099700-A1 METHODS FOR THE TREATMENT OF HYPERTENSION MERCK & CO., INC. (US) 2005-10-27 WO disclosed
WO-2005095353-A1 TETRAHYDRO-INDAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-10-13 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-20070191438-A1 Methods for the treatment of hypertension EDNRA, GPER1, EDNRB ESR1 13/4885ESR2 8/4885

“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.