SCHEMBL2418445

SCHEMBL2418445

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

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 20/20 0.72
ESR1 P03372 19/20 0.72

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
SCHEMBL14339932 0.93 ESR2 (0.71) ESR2ESR1
SCHEMBL2422236 0.89 ESR2 (0.67) ESR2ESR1
SCHEMBL2417960 0.88 ESR2 (0.73) ESR2ESR1
SCHEMBL2418485 0.88 ESR2 (0.57) ESR2ESR1
SCHEMBL2419980 0.88 ESR2 (0.60) ESR2ESR1
SCHEMBL6862469 0.86 ESR2 (0.55) ESR2ESR1
SCHEMBL2419324 0.85 ESR2 (0.74) ESR2ESR1
SCHEMBL2415354 0.84 ESR2 (1.00) ESR2ESR1
SCHEMBL2417755 0.84 ESR2 (0.53) ESR2ESR1
SCHEMBL4861051 0.83 ESR2 (0.59) 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-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-6800785-B1 ALKYLATING INDANONE TO YIELD INTERMEDIATE, ADDING NUCLEOPHILE TO YIELD DIENE, CYCLIZING DIENE VIA RING CLOSING OLEFIN METATHESIS REACTION TO YIELD ALLYLIC ALCOHOL, REARRANGING VIA ALLYLIC OXIDATIVE REARRANGEMENT TO YIELD ENE ONE, DEPROTECTING MERCK & CO., INC. 2004-10-05 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 (2 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

“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.