Sugi Predict

Sugi Predict / Compounds / SCHEMBL994205

SCHEMBL994205

SCHEMBL994205

COC(=O)C(C)CCCC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BLM P54132 1/20 0.52
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ ZDHHC7 Q9NXF8 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CA14 Q9ULX7 3/20 0.35
▸ FOLH1 Q04609 1/20 0.35
▸ KDM4C Q9H3R0 2/20 0.34
▸ CA12 O43570 2/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ PHF8 Q9UPP1 1/20 0.34
▸ KDM2A Q9Y2K7 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL11611500 1.00 BLM (0.52) BLMCA1CA2LMNAPTPN1
SCHEMBL11600011 1.00 BLM (0.52) BLMCA1CA2LMNAPTPN1
SCHEMBL11602158 0.94 BLM (0.62) BLMCA1CA2LMNAPTPN1
SCHEMBL13640440 0.93 CA1 (0.45) BLMCA1CA2ZDHHC7SMN1; SMN2
SCHEMBL7707505 0.86 SMN1; SMN2 (0.41) BLMCA1CA2ZDHHC7SMN1; SMN2
SCHEMBL7105090 0.83 SMN1; SMN2 (0.46) CA1CA2ZDHHC7SMN1; SMN2CA14
SCHEMBL15779692 0.83 CA1 (0.42) BLMCA1CA2LMNAZDHHC7
SCHEMBL11298047 0.82 CA1 (0.61) CA1CA2LMNAZDHHC7CYP3A4
SCHEMBL7947656 0.82 CA1 (0.61) CA1CA2LMNAZDHHC7CYP3A4
SCHEMBL2779851 0.82 CA1 (0.61) CA1CA2LMNAZDHHC7CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3634503-A1 MALODOR REDUCTION IN AIR CARE APPLICATIONS Agilex Flavors & fragrances, Inc. (US) 2020-04-15 — — EP claimed
WO-2018213551-A1 MALODOR REDUCTION IN AIR CARE APPLICATIONS AGILEX FLAVORS & FRAGRANCES, INC. (US) 2018-11-22 — — WO claimed
CN-109952360-B Quantum dot dispersion, self-luminous photosensitive resin composition, color filter manufactured using the same, and image display device 东友精细化工有限公司 2022-03-22 — — CN disclosed
CN-109810589-A Light converts resin combination, light conversion layer folds substrate and image display device 东友精细化工有限公司 2019-05-28 — — CN disclosed
CN-105503862-A Inhibitors of influenza virus replication VERTEX PHARMA 2016-04-20 — — CN disclosed
CN-105481853-A Inhibitors of influenza viruses replication VERTEX PHARMA 2016-04-13 — — CN disclosed
CN-103764654-B Inhibitors of influenza virus replication VERTEX PHARMACEUTICALS INC. (US) 2016-01-20 — — CN disclosed
EP-2841399-A1 COMPOSTING APPLIANCE WITH MALODOR CONTROL AND METHOD OF ELIMINATING ODOR IN COMPOSTING The Procter & Gamble Company (US) 2015-03-04 — — EP disclosed
WO-2013163170-A1 COMPOSTING APPLIANCE WITH MALODOR CONTROL AND METHOD OF ELIMINATING ODOR IN COMPOSTING THE PROCTER & GAMBLE COMPANY (US) 2013-10-31 — — WO disclosed
US-20110015397-A1 Selective Aliphatic C-H Oxidation THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-01-20 — — US disclosed
US-20110015397-A1 Selective Aliphatic C-H Oxidation THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-01-20 — — US disclosed
US-7829342-B2 composition including a complex of a metal, a tetradentate ligand, at least one ancillary ligand, and a counterion is used for selective sp3 C H bond oxidation; includes a N-heterocyclic-N,N'-bis(pyridyl)-ethane-1,2-diamine group or a N,N'-bis(heterocyclic)-N,N'-bis(pyridyl)-ethane-1,2-diamine group THE BOARD OF TRUSTEES OF THE UNIVERSIY OF ILLINOIS (US) 2010-11-09 — — US disclosed
US-7829342-B2 composition including a complex of a metal, a tetradentate ligand, at least one ancillary ligand, and a counterion is used for selective sp3 C H bond oxidation; includes a N-heterocyclic-N,N'-bis(pyridyl)-ethane-1,2-diamine group or a N,N'-bis(heterocyclic)-N,N'-bis(pyridyl)-ethane-1,2-diamine group THE BOARD OF TRUSTEES OF THE UNIVERSIY OF ILLINOIS (US) 2010-11-09 — — US disclosed
US-20090221083-A1 Selective Aliphatic C-H Oxidation BOARD OF TRUSTEES OF UNIVERSITY OF ILLINOIS (US) 2009-09-03 — — US disclosed
US-20090221083-A1 Selective Aliphatic C-H Oxidation BOARD OF TRUSTEES OF UNIVERSITY OF ILLINOIS (US) 2009-09-03 — — US disclosed
US-4110346-A Tetramethyl chromanyl pentane derivatives HOFFMANN-LA ROCHE INC. (US) 1978-08-29 — — US disclosed
US-4088662-A Optically active amides and process for producing the same HOFFMANN-LA ROCHE INC. (US) 1978-05-09 — — US disclosed
US-4086249-A Tetramethyl chromanyl pentane amide HOFFMANN-LA ROCHE INC. (US) 1978-04-25 — — US disclosed
US-4076739-A Synthesis of vitamin E HOFFMANN-LA ROCHE INC. (US) 1978-02-28 — — US disclosed
US-4016178-A Synthesis of vitamin E HOFFMANN-LA ROCHE INC. (US) 1977-04-05 — — 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-20110015397-A1 Selective Aliphatic C-H Oxidation AOC3, SOD3, AP3S1 BLM 3998/4885CA1 1260/4885CA2 2306/4885
US-20090221083-A1 Selective Aliphatic C-H Oxidation AOC3, SOD3, AP3S1 BLM 3998/4885CA1 1260/4885CA2 2306/4885

“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.