SCHEMBL2417331

SCHEMBL2417331

CCCCC12CCC(=O)C(C)=C1c1ccc(O)c(C)c1C2

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 20/20 0.67
ESR1 P03372 19/20 0.67

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
SCHEMBL2420131 0.93 ESR2 (0.65) ESR2ESR1
SCHEMBL4857582 0.91 ESR2 (0.60) ESR2ESR1
SCHEMBL2417679 0.90 ESR2 (0.63) ESR2ESR1
SCHEMBL2416850 0.90 ESR2 (0.66) ESR2ESR1
SCHEMBL2418159 0.90 ESR2 (0.63) ESR2ESR1
SCHEMBL2418007 0.88 ESR2 (0.66) ESR2ESR1
SCHEMBL2414055 0.88 ESR2 (0.64) ESR2ESR1
SCHEMBL2419184 0.86 ESR2 (0.59) ESR2ESR1
SCHEMBL5727022 0.86 ESR2 (0.64) ESR2ESR1
SCHEMBL2420516 0.85 ESR2 (0.63) 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 18 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
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
US-7087599-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2006-08-08 US disclosed
WO-2005099704-A1 METHODS FOR THE TREATMENT OF HYPERTENSION MERCK & CO., INC. (US) 2005-10-27 WO disclosed
US-20050137192-A1 Estrogen receptor modulators PARKER DANN R JR (US) 2005-06-23 US disclosed
US-20030027840-A1 Estrogen receptor modulators MERCK SHARP & DOHME LLC 2003-02-06 US 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.