Sugi Predict

Sugi Predict / Compounds / SCHEMBL3590948

SCHEMBL3590948

SCHEMBL3590948

CC(C)(C)OC(=O)CCOCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.43
▸ FFAR1 O14842 1/20 0.42
▸ KEAP1 Q14145 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ APP P05067 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40

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
SCHEMBL716348 0.91 TDP1 (0.46) TDP1ALDH1A1FFAR1L3MBTL1
SCHEMBL13225831 0.88 FFAR1 (0.56) FFAR1ALOX5
SCHEMBL24207942 0.86 L3MBTL1 (0.51) TDP1ALDH1A1L3MBTL1HTTCTSS
SCHEMBL29173276 0.86 TDP1 (0.44) TDP1ALDH1A1L3MBTL1CA12CA1
SCHEMBL26023523 0.86 L3MBTL1 (0.51) TDP1ALDH1A1L3MBTL1HTTCTSS
SCHEMBL24386940 0.86 L3MBTL1 (0.51) TDP1ALDH1A1L3MBTL1HTTCTSS
SCHEMBL20025191 0.86 CYP4A11 (0.46) TDP1CA12CA1CA7CA14
SCHEMBL18741306 0.86 KCNH2 (0.41) TDP1ALDH1A1FFAR1L3MBTL1KMT2A
SCHEMBL20025317 0.86 PPARA (0.40) TDP1CA1
SCHEMBL14101267 0.86 TDP1 (0.46) TDP1ALDH1A1FFAR1L3MBTL1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2869389-B1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME MITSUBISHI CHEM CORP (JP) 2019-11-13 — — EP disclosed
US-10435509-B2 Hetero type monodispersed polyethylene glycol, intermediate for production of hetero type monodispersed polyethylene glycol, methods for producing same, and hetero type monodispersed polyethylene glycol conjugate TOHOKU TECHNO ARCH CO., LTD. (JP) 2019-10-08 — — US disclosed
US-10320030-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-11 — — US disclosed
US-20180186931-A1 HETERO TYPE MONODISPERSED POLYETHYLENE GLYCOL, INTERMEDIATE FOR PRODUCTION OF HETERO TYPE MONODISPERSED POLYETHYLENE GLYCOL, METHODS FOR PRODUCING SAME, AND HETERO TYPE MONODISPERSED POLYETHYLENE GLYCOL CONJUGATE TOHOKU TECHNO ARCH CO., LTD. (JP) 2018-07-05 — — US disclosed
US-20150140448-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2015-05-21 — — US disclosed
EP-2869389-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME Mitsubishi Chemical Corporation (JP) 2015-05-06 — — EP disclosed
US-20120142646-A1 Novel Compounds 621 ASTRAZENECA AB (SE) 2012-06-07 — — US disclosed
US-20100210688-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2010-08-19 — — US disclosed
US-7709511-B2 Benzothiazolone derivatives ASTRAZENECA AB (SE) 2010-05-04 — — US disclosed
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ASTRAZENECA AB (SE) 2010-03-04 — — US disclosed
EP-2094646-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES AstraZeneca AB (SE) 2009-09-02 — — EP disclosed
US-20090203753-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2009-08-13 — — US disclosed
US-20080300275-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2008-12-04 — — US disclosed
EP-1957471-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS 2 ADRENOCEPTOR AGONISTS AstraZeneca AB (SE) 2008-08-20 — — EP disclosed
WO-2008075025-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ASTRAZENECA AB (SE) 2008-06-26 — — WO disclosed
EP-1915354-A1 NOVEL BENZOTHIAZOLONE DERIVATIVES AstraZeneca AB (SE) 2008-04-30 — — EP disclosed
WO-2007027133-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS β2 ADRENOCEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-03-08 — — WO disclosed
WO-2007018461-A1 NOVEL BENZOTHIAZOLONE DERIVATIVES ASTRAZENECA AB (SE) 2007-02-15 — — 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 (5 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-20120142646-A1 Novel Compounds 621 AR, ADRA1D, ADRA1B TDP1 3971/4885ALDH1A1 656/4885FFAR1 324/4885
US-20080300275-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 TDP1 2812/4885ALDH1A1 233/4885FFAR1 1540/4885
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ADRB2, ADRB1, ADRA2A TDP1 3741/4885ALDH1A1 560/4885FFAR1 621/4885
US-20090203753-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ADRB2, ADRB1, ADRA1D TDP1 3978/4885ALDH1A1 380/4885FFAR1 225/4885
US-20100210688-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 TDP1 2812/4885ALDH1A1 233/4885FFAR1 1540/4885

“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.