SCHEMBL3781926

SCHEMBL3781926

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C(C)(CCCO)C(=O)OC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.39
TDP1 Q9NUW8 1/20 0.33
NAAA Q02083 2/20 0.33
CACNA1B Q00975 4/20 0.32
EPHX1 P07099 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
CHRM3 P20309 3/20 0.30

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
SCHEMBL3781928 1.00 CYP19A1 (0.39) CYP19A1TDP1NAAACACNA1BEPHX1
SCHEMBL3777665 0.88 CYP19A1 (0.39) CYP19A1NAAACACNA1BEPHX1CHRM3
SCHEMBL3777661 0.88 CYP19A1 (0.39) CYP19A1NAAACACNA1BEPHX1CHRM3
SCHEMBL13061519 0.84 CYP19A1 (0.38) CYP19A1CACNA1B
SCHEMBL17792382 0.83 CYP19A1 (0.39) CYP19A1NAAACACNA1BEPHX1CHRM3
SCHEMBL3769294 0.82 CYP19A1 (0.37) CYP19A1
SCHEMBL3769296 0.82 CYP19A1 (0.37) CYP19A1
SCHEMBL13007471 0.81 TDP1 (0.41) TDP1CYP4F2CYP4A11
SCHEMBL3780552 0.73 CACNA1B (0.34) CYP19A1TDP1NAAACACNA1BEPHX1
SCHEMBL13007472 0.68 HDAC1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636409-B2 Enzyme and receptor modulation using covalent conjugates of alpha,alpha-disubstituted glycine esters GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-05-02 US disclosed
US-9636409-B2 Enzyme and receptor modulation using covalent conjugates of alpha,alpha-disubstituted glycine esters GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-05-02 US disclosed
US-9636409-B2 Enzyme and receptor modulation using covalent conjugates of alpha,alpha-disubstituted glycine esters GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-05-02 US disclosed
US-20160151509-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE IP DEV LTD (GB) 2016-06-02 US disclosed
US-20160151509-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE IP DEV LTD (GB) 2016-06-02 US disclosed
US-20160151509-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE IP DEV LTD (GB) 2016-06-02 US disclosed
US-20140088159-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LTD. (GB) 2014-03-27 US disclosed
US-20140088159-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LTD. (GB) 2014-03-27 US disclosed
US-20140088159-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LTD. (GB) 2014-03-27 US disclosed
US-20100317865-A1 ENZYME AND RECEPTOR MODULATION c/o Chroma Therapeutics Ltd. (GB) 2010-12-16 US disclosed
US-20100317865-A1 ENZYME AND RECEPTOR MODULATION c/o Chroma Therapeutics Ltd. (GB) 2010-12-16 US disclosed
US-20100317865-A1 ENZYME AND RECEPTOR MODULATION c/o Chroma Therapeutics Ltd. (GB) 2010-12-16 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 (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-20140088159-A1 ENZYME AND RECEPTOR MODULATION CES1, GLRB, GLRA1 CYP19A1 612/4885TDP1 2320/4885NAAA 243/4885
US-20160151509-A1 ENZYME AND RECEPTOR MODULATION CES1, GLRB, GLRA1 CYP19A1 612/4885TDP1 2320/4885NAAA 243/4885
US-20100317865-A1 ENZYME AND RECEPTOR MODULATION CES1, GLRB, GLRA1 CYP19A1 612/4885TDP1 2320/4885NAAA 243/4885

“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.