SCHEMBL1859283

SCHEMBL1859283

CCCCCONC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.43
CTSK P43235 4/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CTSS P25774 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
ACHE P22303 6/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
NAAA Q02083 1/20 0.37

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
SCHEMBL15341460 0.98 EPHX1 (0.46) EPHX1CTSKCA12CA1CA7
SCHEMBL7527615 0.98 EPHX1 (0.46) EPHX1CTSKCA12CA1CA7
SCHEMBL1865098 0.94 CTSK (0.42) CTSKCA12CA1CA7CA14
SCHEMBL20464123 0.86 CA1 (0.43) CTSKCA12CA1CA7CA14
SCHEMBL3486538 0.85 CA1 (0.40) CTSKCA12CA1CA7CA14
SCHEMBL755597 0.85 CA1 (0.40) CA12CA1CA7CA14CA2
SCHEMBL11496116 0.84 CA1 (0.39) CTSKCA12CA1CA7CA14
SCHEMBL5493650 0.84 TDP1 (0.59) CA12CA1CA7CA2CA9
SCHEMBL5498803 0.84 TDP1 (0.42) CA12CA1CA7CA14CA2
SCHEMBL13225165 0.83 CASP2 (0.45) CA12CA1CA2CA9TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108699558-A nucleic acid complexes 协和发酵麒麟株式会社 2018-10-23 CN disclosed
CN-101855258-B Microphase separated structure film and process for producing the microphase separated structure film NAT UNIV CORP TOKYO INST TECHNOLOGY 2013-07-10 CN disclosed
US-8466176-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2013-06-18 US disclosed
US-20110105566-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-05-05 US disclosed
CN-101855258-A Microphase separated structure film and process for producing the microphase separated structure film TOYOTA JIDOSYA KABUSHIKI KAISHA 2010-10-06 CN disclosed
US-20080113924-A1 Neuramindase Inhibitor NATIONAL INSTITUE OF ADVANCE INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2008-05-15 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-20110105566-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES HAAO, CYP51A1, HPD EPHX1 1130/4885CTSK 1530/4885CA12 1447/4885
US-20080113924-A1 Neuramindase Inhibitor NMBR, NEU1, NMUR1 EPHX1 1102/4885CTSK 1293/4885CA12 133/4885

“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.