SCHEMBL968866

SCHEMBL968866

CC(C)(C)[Si](C)(C)O[C@H]1C=CC(=O)C1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 4/20 0.38
NFKB2 Q00653 4/20 0.38
RELA Q04206 4/20 0.38

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
SCHEMBL852586 1.00 NFKB1 (0.38) NFKB1NFKB2RELA
SCHEMBL968867 1.00 NFKB1 (0.38) NFKB1NFKB2RELA
SCHEMBL2953173 0.83 NFKB1 (0.30) NFKB1NFKB2RELA
SCHEMBL4417335 0.83 NFKB1 (0.30) NFKB1NFKB2RELA
SCHEMBL5613785 0.83 NFKB1 (0.30) NFKB1NFKB2RELA
SCHEMBL3449840 0.81 NFKB1 (0.37) NFKB1NFKB2RELA
SCHEMBL5634238 0.81 NFKB1 (0.37) NFKB1NFKB2RELA
SCHEMBL13734264 0.76 NLRP3 (0.39) NFKB1NFKB2RELA
SCHEMBL15007568 0.75
SCHEMBL8577970 0.73 NFKB1 (0.46) NFKB1NFKB2RELA

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 190 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4132726-A INTERMEDIATES FOR PROSTAGLANDIN COMPOUNDS TEIJIN LIMITED (JP) 1979-01-02 US claimed
EP-3663305-B1 METHOD FOR INTRODUCING SUBSTITUENTS INTO ALPHA,BETA-UNSATURATED KETONE AND PROSTAGLANDIN COMPOUND SYNTHESIS METHOD UTILIZING SAME NAT CT GERIATRICS & GERONTOLOGY (JP) 2023-08-30 EP disclosed
CN-110959009-B Method for introducing substituent to alpha, beta-unsaturated ketone and method for synthesizing prostanoid using the same 国立研究开发法人国立长寿医疗研究中心 2023-02-28 CN disclosed
US-11384044-B2 Method for introducing substituent into α,β-unsaturated ketone and method for synthesizing prostaglandin using the same NATIONAL CENTER FOR GERIATRICS AND GERONTOLOGY (JP) 2022-07-12 US disclosed
US-20210355061-A1 METHOD FOR INTRODUCING SUBSTITUENT INTO alpha,beta-UNSATURATED KETONE AND METHOD FOR SYNTHESIZING PROSTAGLANDIN USING THE SAME NATIONAL CENTER FOR GERIATRICS AND GERONTOLOGY (JP) 2021-11-18 US disclosed
EP-3663305-A1 METHOD FOR INTRODUCING SUBSTITUENTS INTO , -UNSATURATED KETONE AND PROSTAGLANDIN COMPOUND SYNTHESIS METHOD UTILIZING SAME National Center for Geriatrics and Gerontology (JP) 2020-06-10 EP disclosed
CN-110959009-A Method for introducing substituent to α -unsaturated ketone and method for synthesizing prostanoid using same 国立研究开发法人国立长寿医疗研究中心 2020-04-03 CN disclosed
EP-1537066-B1 CYCLOPENTENONE DERIVATIVES AS POTENT ACTIVATORS OF HSF-1 BIOGEM S C AR L (IT) 2017-01-25 EP disclosed
US-9394273-B2 Therapeutic prostaglandin receptor agonists ALLERGAN, INC. (US) 2016-07-19 US disclosed
WO-2015175984-A1 THERAPEUTIC PROSTAGLANDIN RECEPTOR AGONISTS ALLERGAN, INC. (US) 2015-11-19 WO disclosed
EP-0197800-A2 5-Thiaprostaglandins E1 and process for producing same TEIJIN LIMITED (JP) 1986-10-15 EP disclosed
EP-0178139-A2 Process for producing 2,3-disubstituted -4-substituted cyclopentanones, enantiomorphs, or mixtures thereof TEIJIN LIMITED (JP) 1986-04-16 EP disclosed
EP-0173753-A1 6-SUBSTITUTED PROSTAGLANDIN E1'S AND PROCESS FOR THEIR PREPARATION TEIJIN LIMITED (JP) 1986-03-12 EP disclosed
EP-0038613-B1 NOVEL PROSTAGLANDINS E1 AND ANTI-THROMBOTIC COMPOSITIONS CONTAINING THEM TEIJIN LIMITED (JP) 1984-08-29 EP disclosed
EP-0102230-A2 Novel 6-nitroprostaglandin derivatives, process for production thereof, and use thereof TEIJIN LIMITED (JP) 1984-03-07 EP disclosed
US-4315032-A ANTITHROMBOGENIC AGENTS, ANTIULCER AGENTS TEITIN LIMITED (JP) 1982-02-09 US disclosed
EP-0038613-A1 Novel prostaglandins E1 and anti-thrombotic compositions containing them TEIJIN LIMITED (JP) 1981-10-28 EP disclosed
EP-0019475-A2 Process for preparing adjacently disubstituted ketones, novel prostaglandins E1 and anti-thrombotic compositions containing them TEIJIN LIMITED (JP) 1980-11-26 EP disclosed
EP-0013620-A1 Process for the peparation of 4-hydroxycyclopent-2-enone and derivatives THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 1980-07-23 EP disclosed
US-4132726-A INTERMEDIATES FOR PROSTAGLANDIN COMPOUNDS TEIJIN LIMITED (JP) 1979-01-02 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 (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-20210355061-A1 METHOD FOR INTRODUCING SUBSTITUENT INTO alpha,beta-UNSATURATED KETONE AND METHOD FOR SYNTHESIZING PROSTAGLANDIN USING THE SAME PTGES, PTGES2, PTGES3 NFKB1 577/4885NFKB2 992/4885RELA 611/4885
US-11384044-B2 Method for introducing substituent into α,β-unsaturated ketone and method for synthesizing prostaglandin using the same PTGES, PTGES2, PTGES3 NFKB1 518/4885NFKB2 899/4885RELA 549/4885

“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.