SCHEMBL968867

SCHEMBL968867

CC(C)(C)[Si](C)(C)OC1C=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
SCHEMBL968866 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 142 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0137539-B1 N-SUBSTITUTED TETRAHYDROTHIAZINES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS PESTICIDES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-05-04 EP claimed
US-4132726-A INTERMEDIATES FOR PROSTAGLANDIN COMPOUNDS TEIJIN LIMITED (JP) 1979-01-02 US claimed
US-4009196-A HYPOTENSIVE AGENTS, BRONCHODILATORS, PROSTAGLANDIN ANALOGS TEIJIN LIMITED (JA) 1977-02-22 US claimed
US-12053451-B2 Arginase inhibitors and their therapeutic applications Oncoarendi Therapeutics S.A. (PL) 2024-08-06 US disclosed
US-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-12 US disclosed
US-20230357168-A1 CARBOBICYCLIC NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTION UNIV HONG KONG CHINESE (CN) 2023-11-09 US disclosed
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
US-20230159474-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2023-05-25 US disclosed
US-11643399-B2 Modulators of mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-05-09 US 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-20230053860-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2023-02-23 US disclosed
EP-0079733-A2 Process for prostaglandin E1, production and novel delta 7-prostaglandines E and 7-hydroxyprostaglandins E TEIJIN LIMITED (JP) 1983-05-25 EP disclosed
EP-0051284-A1 Novel thiaprostaglandin E1 derivatives, process for production thereof, and pharmaceuticals containing these compounds TEIJIN LIMITED (JP) 1982-05-12 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
US-4180672-A 2-Organothio-2-cyclopentenones, organothio-cyclopentanes derived therefrom TEIJIN LIMITED (JP) 1979-12-25 US disclosed
US-4139717-A 1,3-Dicarbonyl compounds TEIJIN LIMITED (JP) 1979-02-13 US disclosed
US-4132726-A INTERMEDIATES FOR PROSTAGLANDIN COMPOUNDS TEIJIN LIMITED (JP) 1979-01-02 US disclosed
US-4009196-A HYPOTENSIVE AGENTS, BRONCHODILATORS, PROSTAGLANDIN ANALOGS TEIJIN LIMITED (JA) 1977-02-22 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 (6 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-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods MRGPRX4, MRGPRX1, MRGPRX2 NFKB1 3644/4885NFKB2 4063/4885RELA 3956/4885
US-11643399-B2 Modulators of mas-related G-protein receptor X4 and related products and methods MRGPRX4, MRGPRX1, MRGPRX2 NFKB1 3644/4885NFKB2 4063/4885RELA 3956/4885
US-20230357168-A1 CARBOBICYCLIC NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTION PNP, SLC29A1, SLC29A2 NFKB1 2790/4885NFKB2 3087/4885RELA 2172/4885
US-20230159474-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 NFKB1 3644/4885NFKB2 4063/4885RELA 3956/4885
US-12053451-B2 Arginase inhibitors and their therapeutic applications ARG1, ARG2, ARGLU1 NFKB1 1570/4885NFKB2 1372/4885RELA 1748/4885
US-20230053860-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 NFKB1 3644/4885NFKB2 4063/4885RELA 3956/4885

“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.