SCHEMBL4728017

SCHEMBL4728017

FC(F)(F)C(F)(F)CCCSCCCCCCCCCBr

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36

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
SCHEMBL2307489 1.00 ESR1 (0.36) ESR1ESR2
SCHEMBL2934411 0.98 ESR1 (0.36) ESR1ESR2
SCHEMBL8665314 0.82
SCHEMBL538153 0.79
SCHEMBL10500778 0.79 ESR1 (0.34) ESR1ESR2
SCHEMBL4729293 0.79 ESR1 (0.34) ESR1ESR2
SCHEMBL7551581 0.79 ESR1 (0.34) ESR1ESR2
SCHEMBL9578948 0.79 CES1 (0.47) ESR1ESR2
SCHEMBL7593649 0.79 ESR1 (0.34) ESR1ESR2
SCHEMBL19578784 0.79 CES1 (0.47) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11465990-B2 Heterocyclic antiestrogens SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2022-10-11 US disclosed
CN-108699021-B Heterocyclic antiestrogens 太阳医药高级研究有限公司 2022-10-04 CN disclosed
EP-4043438-A1 NOVEL HETEROCYCLIC ANTIESTROGENS Sun Pharma Advanced Research Company Limited (IN) 2022-08-17 EP disclosed
EP-3368519-B1 NOVEL HETEROCYCLIC ANTIESTROGENS SUN PHARMA ADVANCED RES CO LTD (IN) 2022-04-06 EP disclosed
EP-3932922-A1 SULFUR-CONTAINING COMPOUND BASED ON GLUTARIMIDE SKELETON AND APPLICATION THEREOF ShanghaiTech University (CN) 2022-01-05 EP disclosed
US-10865199-B2 Heterocyclic antiestrogens SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2020-12-15 US disclosed
US-20180354936-A1 NOVEL HETEROCYCLIC ANTIESTROGENS SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2018-12-13 US disclosed
EP-3368519-A1 NOVEL HETEROCYCLIC ANTIESTROGENS Sun Pharma Advanced Research Company Limited (IN) 2018-09-05 EP disclosed
WO-2017072792-A1 NOVEL HETEROCYCLIC ANTIESTROGENS SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2017-05-04 WO disclosed
EP-1436256-B1 PREPARATION PROCESS OF SOME HALOGENO-SUBSTITUTED MONOSULFIDES AND THEIR HYDROXY-MONOSULFIDE OR ISOTHIOURONIUM BROMIDE EQUIVALENTS AS INTERMEDIATES ASTRAZENECA AB (SE) 2011-08-10 EP disclosed
US-7947667-B2 Aromatization; hydrolysis; deblocking, deprotecting; oxidation; for production of fulvestrant ASTRAZENECA AB (SE) 2011-05-24 US disclosed
WO-2008044033-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2008-04-17 WO disclosed
EP-0642529-B1 11BETA-SUBSTITUTED 14,17-ETHANOESTRATRIENES, PROCESS FOR PREPARING THESE COMPOUNDS AND THEIR USE FOR PREPARING MEDICAMENTS SCHERING AG (DE) 1996-12-11 EP disclosed
US-5502046-A 11β-substituted 14,17-ethanoestratrienes, process for their production and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed
EP-0642529-A1 11-g(b)-SUBSTITUTED 14,17-ETHANOESTRATRIENES, PROCESS FOR PREPARING THESE COMPOUNDS AND THEIR USE FOR PREPARING MEDICAMENTS. SCHERING AG (DE) 1995-03-15 EP disclosed
EP-0546591-A2 11-beta-substituted 14,17-ethanoestratrienes, process for their production and their use in the preparation of medicines SCHERING AKTIENGESELLSCHAFT (DE) 1993-06-16 EP disclosed
WO-1993006124-A1 11β-SUBSTITUTED 14,17-ETHANOESTRATRIENES, PROCESS FOR PREPARING THESE COMPOUNDS AND THEIR USE FOR PREPARING MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-01 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-20180354936-A1 NOVEL HETEROCYCLIC ANTIESTROGENS ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885
US-11465990-B2 Heterocyclic antiestrogens ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885
US-10865199-B2 Heterocyclic antiestrogens ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885

“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.