SCHEMBL2419638

SCHEMBL2419638

CCCCC12CCC(=O)C(Cl)=C1c1ccc(O)cc1C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 20/20 1.00
ESR1 P03372 19/20 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
SCHEMBL2415354 0.88 ESR2 (1.00) ESR2ESR1
SCHEMBL2413229 0.87 ESR2 (1.00) ESR2ESR1
SCHEMBL21067784 0.87 ESR2 (1.00) ESR2ESR1
SCHEMBL2418015 0.87 ESR2 (1.00) ESR2ESR1
SCHEMBL2417758 0.87 ESR2 (1.00) ESR2ESR1
SCHEMBL2420213 0.86 ESR2 (1.00) ESR2ESR1
SCHEMBL2415627 0.86 ESR2 (1.00) ESR2ESR1
SCHEMBL2422275 0.85 ESR2 (0.88) ESR2ESR1
SCHEMBL2418936 0.84 ESR2 (1.00) ESR2ESR1
SCHEMBL2418441 0.84 ESR2 (1.00) ESR2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257264-B1 ESTROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-09-14 EP claimed
US-20080161372-A1 Methods for the Treatment of Hypertension MERCK & CO., INC. 2008-07-03 US claimed
EP-1734960-A1 METHODS FOR THE TREATMENT OF HYPERTENSION Merck & Co., Inc. (US) 2006-12-27 EP claimed
US-7087599-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2006-08-08 US claimed
WO-2005099704-A1 METHODS FOR THE TREATMENT OF HYPERTENSION MERCK & CO., INC. (US) 2005-10-27 WO claimed
EP-1257264-A4 ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2005-08-10 EP claimed
US-20050137192-A1 Estrogen receptor modulators PARKER DANN R JR (US) 2005-06-23 US claimed
US-20030027840-A1 Estrogen receptor modulators MERCK SHARP & DOHME LLC 2003-02-06 US claimed
EP-1257264-A1 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2002-11-20 EP claimed
WO-2001082923-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2001-11-08 WO claimed
EP-1257264-B1 ESTROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-09-14 EP disclosed
US-20080161372-A1 Methods for the Treatment of Hypertension MERCK & CO., INC. 2008-07-03 US disclosed
EP-1734960-A1 METHODS FOR THE TREATMENT OF HYPERTENSION Merck & Co., Inc. (US) 2006-12-27 EP disclosed
WO-2005099704-A1 METHODS FOR THE TREATMENT OF HYPERTENSION MERCK & CO., INC. (US) 2005-10-27 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 (3 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-20030027840-A1 Estrogen receptor modulators GPER1, ESR2, ESRRA ESR2 2/4885ESR1 5/4885
US-20050137192-A1 Estrogen receptor modulators GPER1, ESR2, ESRRA ESR2 2/4885ESR1 5/4885
US-20080161372-A1 Methods for the Treatment of Hypertension EDNRA, GPER1, EDNRB ESR2 8/4885ESR1 13/4885

“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.