SCHEMBL2417565

SCHEMBL2417565

CCCCC12CCC(=O)C=C1c1cc(F)c(OC)c(Cl)c1C2

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 20/20 0.55
ESR1 P03372 15/20 0.55

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
SCHEMBL5904516 1.00 ESR2 (0.55) ESR2ESR1
SCHEMBL4849090 0.93 ESR2 (0.52) ESR2ESR1
SCHEMBL5342870 0.86 ESR2 (0.53) ESR2ESR1
SCHEMBL5904403 0.86 ESR2 (0.59) ESR2ESR1
SCHEMBL5904399 0.86 ESR2 (0.59) ESR2ESR1
SCHEMBL2411976 0.85 ESR2 (0.53) ESR2ESR1
SCHEMBL2420349 0.82 ESR2 (0.55) ESR2ESR1
SCHEMBL2416714 0.81 ESR2 (0.56) ESR2ESR1
SCHEMBL2419608 0.81 ESR2 (0.56) ESR2ESR1
SCHEMBL14590333 0.81 ESR2 (0.54) 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 8 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 disclosed
US-20060247319-A1 Preparation of 4-bromotetrahydrofluoreneones HUFFMAN MARK A 2006-11-02 US disclosed
US-7087599-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2006-08-08 US disclosed
EP-1257264-A4 ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2005-08-10 EP 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
EP-1257264-A1 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2002-11-20 EP disclosed
WO-2001082923-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2001-11-08 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-20060247319-A1 Preparation of 4-bromotetrahydrofluoreneones CYP4F2, CYP4F3, CYP2F1 ESR2 1605/4885ESR1 1710/4885

“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.