SCHEMBL2851398

SCHEMBL2851398

C[Si](C)(C)Cl.C[Si](C)(C)N(C(=O)C(F)(F)F)[Si](C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32

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
SCHEMBL50594 0.93 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
Dimethylformamide SCHEMBL3188282 0.80 TSHR (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
Pyridine SCHEMBL5676908 0.77 TSHR (0.35)
SCHEMBL8144791 0.76
SCHEMBL11371340 0.72 ALDH1A1 (0.33)
SCHEMBL26430616 0.71
SCHEMBL4539482 0.71 THRB (0.46)
SCHEMBL23035533 0.70 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11270523 0.70 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL231141 0.70 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112213436-B Gas chromatography-mass spectrometry detection system and method 中国科学院微生物研究所 2022-07-15 CN disclosed
CN-112213436-A Gas chromatography-mass spectrometry detection system and method 中国科学院微生物研究所 2021-01-12 CN disclosed
US-7786356-B2 Method for the production of calendic acid, a fatty acid containing delta 8,10,12 conjugated double bonds and related fatty acids having a modification at the delta 9 position E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-08-31 US disclosed
EP-1208203-B1 METHOD FOR THE PRODUCTION OF CALENDIC ACID, A FATTY ACID CONTAINING DELTA-8,10,12 CONJUGATED DOUBLE BONDS AND DIMORPHECOLIC ACID, A FATTY ACID CONTAINING A 9-HYDROXY GROUP AND DELTA-10,12 CONJUGATED DOUBLE BONDS DU PONT (US) 2010-01-13 EP disclosed
US-20090293149-A1 METHOD FOR THE PRODUCTION OF CALENDIC ACID, A FATTY ACID CONTAINING DELTA 8,10,12 CONJUGATED DOUBLE BONDS AND RELATED FATTY ACIDS HAVING A MODIFICATION AT THE DELTA 9 POSITION CAHOON EDGAR BENJAMIN 2009-11-26 US disclosed
US-7230090-B2 Method for the production of calendic acid, a fatty acid containing delta-8,10,12 conjugated double bonds and related fatty acids having a modification at the delta-9 position E. I. DE PONT DE NEMOURS AND COMPANY (US) 2007-06-12 US disclosed
EP-1309698-B1 A CYTOCHROME P450 ENZYME ASSOCIATED WITH THE SYNTHESIS OF DELTA-12 -EPOXY GROUPS IN FATTY ACIDS OF PLANTS DU PONT (US) 2007-04-18 EP disclosed
US-6974893-B2 Nucleotide sequences coding polypeptide for use in altering the composition of plant oils, waxes and hydroxylated fatty acids in plants BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) 2005-12-13 US disclosed
US-20040139499-A1 Cytochrome P450 dependent enzyme associated with the synthesis of the epoxy group of vernolic acid CAHOON EDGAR B (US) 2004-07-15 US disclosed
US-20030204871-A1 Method for the production of calendic acid, a fatty acid containing delta-8,10,12 conjugated double bonds and related fatty acids having a modification at the delta-9 position CAHOON EDGAR BENJAMIN (US) 2003-10-30 US disclosed
WO-2003060092-A2 MODIFIED FATTY ACID HYDROXYLASE PROTEIN AND GENES BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) 2003-07-24 WO disclosed
US-6593514-B1 Chimeric gene comprising an isolated nucleic acid fragment encoding a plant fatty acid modifying enzyme; can be used to create transgenic plants having altered lipid profiles; use in drying oils, lubricants, detergents, animal feed additives E. I. DU PONT DE NEMOURS AND COMPANY 2003-07-15 US disclosed
US-20030079249-A1 Isoform of castor oleate hydroxylase ENERGY, UNITED STATES DEPARTMENT 2003-04-24 US disclosed
US-20030066103-A1 Cytochrome P450 enzyme associated with the synthesis of delta12-epoxy groups in fatty acids of plants E. I. DU PONT DE NEMOURS AND COMPANY 2003-04-03 US disclosed
WO-2003002719-A2 ISOFORM OF CASTOR OLEATE HYDROXYLASE BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) 2003-01-09 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 (1 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-20030204871-A1 Method for the production of calendic acid, a fatty acid containing delta-8,10,12 conjugated double bonds and related fatty acids having a modification at the delta-9 position FADS2, FASN, FADS1 CHRM2 2555/4885CHRM4 3313/4885CHRM5 3581/4885

“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.