SCHEMBL8401121

SCHEMBL8401121

CC(C)(CO)COC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 5/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 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
SCHEMBL12433234 0.81 MAPK1 (0.36) MAPK1ALDH1A1
SCHEMBL14213292 0.77 MAPK1 (0.36) MAPK1ALDH1A1
SCHEMBL16883925 0.77 MAPK1 (0.36) MAPK1ALDH1A1
SCHEMBL284757 0.75 NUDT1 (0.34) NUDT1MAPK1
SCHEMBL8997493 0.75 NUDT1 (0.34) NUDT1
SCHEMBL22746749 0.74 CYP4F2 (0.35) NUDT1
SCHEMBL10308085 0.74 NUDT1 (0.33) NUDT1
SCHEMBL10658831 0.73
SCHEMBL818866 0.73
SCHEMBL284223 0.73 TSHR (0.37) NUDT1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0133881-A1 Aliphatic monoethers of 2,2-dimethylpropane-1,3-diol with C3 to C20 alkoxy groups, with the exception of 3-isopropoxy-2,2-dimethylpropane-1-ol and 3-tert.butoxy-2,2-dimethylpropane-1-ol, process for their production and their use as plasticizer alcohols HÜLS AKTIENGESELLSCHAFT (DE) 1985-03-13 EP claimed
US-9718825-B2 N-(4-(azaindazol-6-yl)-phenyl)-sulfonamides and their use as pharmaceuticals SANOFI (FR) 2017-08-01 US disclosed
US-20160024097-A1 N-(4-(AZAINDAZOL-6-YL)-PHENYL)-SULFONAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2016-01-28 US disclosed
US-8987251-B2 Triazolopyridine compounds as PIM kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-03-24 US disclosed
US-20140045817-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-02-13 US disclosed
US-8575145-B2 Triazolopyridine compounds as PIM kinase inhibitors ARRAY BIOPHARMA INC. (US) 2013-11-05 US disclosed
WO-2012081736-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-21 WO disclosed
US-8202677-B2 Chemically-amplified positive resist composition and patterning process thereof SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-06-19 US disclosed
US-20110144085-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-16 US disclosed
US-20100009286-A1 Chemically-amplified positive resist composition and patterning process thereof SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-01-14 US disclosed
EP-0733618-B1 Monocarbonates, use thereof and process for the preparation of compositions containing monocarbonates MITSUI CHEMICALS INC (JP) 1999-06-09 EP disclosed
US-5656578-A COMPATIBLE LUBRICATING OIL; DIELECTRICS, CLEANING PROPERTY MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-08-12 US disclosed
EP-0733618-A2 Monocarbonates, use thereof and process for the preparation of compositions containing monocarbonates MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP disclosed
EP-0133881-A1 Aliphatic monoethers of 2,2-dimethylpropane-1,3-diol with C3 to C20 alkoxy groups, with the exception of 3-isopropoxy-2,2-dimethylpropane-1-ol and 3-tert.butoxy-2,2-dimethylpropane-1-ol, process for their production and their use as plasticizer alcohols HÜLS AKTIENGESELLSCHAFT (DE) 1985-03-13 EP disclosed
EP-0133881-A1 Aliphatic monoethers of 2,2-dimethylpropane-1,3-diol with C3 to C20 alkoxy groups, with the exception of 3-isopropoxy-2,2-dimethylpropane-1-ol and 3-tert.butoxy-2,2-dimethylpropane-1-ol, process for their production and their use as plasticizer alcohols HÜLS AKTIENGESELLSCHAFT (DE) 1985-03-13 EP disclosed
EP-0133881-A1 Aliphatic monoethers of 2,2-dimethylpropane-1,3-diol with C3 to C20 alkoxy groups, with the exception of 3-isopropoxy-2,2-dimethylpropane-1-ol and 3-tert.butoxy-2,2-dimethylpropane-1-ol, process for their production and their use as plasticizer alcohols HÜLS AKTIENGESELLSCHAFT (DE) 1985-03-13 EP 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-20160024097-A1 N-(4-(AZAINDAZOL-6-YL)-PHENYL)-SULFONAMIDES AND THEIR USE AS PHARMACEUTICALS SGK1, SGK3, SGK2 NUDT1 4675/4885MAPK1 237/4885ALDH1A1 3312/4885
US-20110144085-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS PIM1, PIM2, PIM3 NUDT1 3926/4885MAPK1 73/4885ALDH1A1 2440/4885
US-20140045817-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS PIM2, PIM1, PIM3 NUDT1 3442/4885MAPK1 81/4885ALDH1A1 1820/4885

“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.