SCHEMBL5526583

SCHEMBL5526583

FC(F)(F)C(F)(F)CCCSCCCCCCCCCI

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34

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
SCHEMBL8621826 0.87 ESR1 (0.33) ESR1ESR2
SCHEMBL2780203 0.82
SCHEMBL2636314 0.79
SCHEMBL4730525 0.79 ESR1 (0.36) ESR1ESR2
SCHEMBL7593649 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
SCHEMBL19578784 0.79 CES1 (0.47) ESR1ESR2
SCHEMBL4728017 0.79 ESR1 (0.36) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111377997-A Preparation method of fulvestrant related substance 江苏豪森药业集团有限公司 2020-07-07 CN disclosed
US-20100174101-A1 Process for the manufacture of 7-alpha-[9-(4,4,5,5,5-penta fluoropentylsulphinyl) nonyl]estra-1,3,5-(10)- triene-3,17-beta-diol XI'AN LIBAND PHARMACEUTICAL CO., LTD. (CN) 2010-07-08 US disclosed
US-20100174101-A1 Process for the manufacture of 7-alpha-[9-(4,4,5,5,5-penta fluoropentylsulphinyl) nonyl]estra-1,3,5-(10)- triene-3,17-beta-diol XI'AN LIBAND PHARMACEUTICAL CO., LTD. (CN) 2010-07-08 US disclosed
US-20100105934-A1 FULVESTRANT INTERMEDIATE SYNTHON BV (NL) 2010-04-29 US disclosed
WO-2010043404-A1 PROCESSES AND INTERMEDIATES FOR THE PRODUCTION OF FULVESTRANT SYNTHON B.V. (NL) 2010-04-22 WO disclosed
US-20070142345-A1 Steroids for cancer treatment INNOVENTUS PROJECT AB (SE) 2007-06-21 US disclosed
US-20070142345-A1 Steroids for cancer treatment INNOVENTUS PROJECT AB (SE) 2007-06-21 US disclosed
US-20070142345-A1 Steroids for cancer treatment INNOVENTUS PROJECT AB (SE) 2007-06-21 US disclosed
EP-1716166-A2 17-METHYLENE- OR 17-SPIRO-CYCLOPROPANE 7-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE DERIVATIVES WITH ANTI-ESTROGENIC ACTIVITY Innoventus Project AB (SE) 2006-11-02 EP disclosed
WO-2005077968-A2 17-METHYLENE-OR 17 - SPIRO - CYCLOPROPANE 7 - SUBSTITUTED ESTRA - 1, 3, 5 (10) - TRIENE DERIVATIVES WITH ANTI - ESTROGENIC ACTIVITY INNOVENTUS PROJECT AB (SE) 2005-08-25 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-20100105934-A1 FULVESTRANT INTERMEDIATE CYP19A1, NR5A1, HSD17B11 ESR1 8/4885ESR2 5/4885
US-20100174101-A1 Process for the manufacture of 7-alpha-[9-(4,4,5,5,5-penta fluoropentylsulphinyl) nonyl]estra-1,3,5-(10)- triene-3,17-beta-diol CYP19A1, HSD17B11, CYP17A1 ESR1 24/4885ESR2 15/4885
US-20070142345-A1 Steroids for cancer treatment HSD17B11, ESRRB, ESRRA ESR1 9/4885ESR2 7/4885

“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.