SCHEMBL316585

SCHEMBL316585

C=C(C)C(=O)NCNC(=O)C(=C)C.C=C(C)C(=O)OCCOC(=O)C(=C)C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.57
TSHR P16473 4/20 0.50
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TGFBR1 P36897 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ACHE P22303 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
SCHEMBL194228 0.86 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL19885344 0.86 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL15636 0.84 THRB (0.74) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL6142874 0.84 THRB (0.74) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL59411 0.84 TGFBR1 (0.41) THRBTSHRALDH1A1TDP1TGFBR1
SCHEMBL16240892 0.83 THRB (0.41) THRBTSHRALDH1A1
SCHEMBL10594427 0.82 EGLN1 (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9421249 0.82 TSHR (0.55) THRBTSHRALDH1A1POLBAPEX1
Ethylene SCHEMBL955493 0.82 THRB (0.71) THRBTSHRALDH1A1POLBAPEX1
Ethylene SCHEMBL2367613 0.82 THRB (0.71) THRBTSHRALDH1A1POLBAPEX1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473551-B2 For analyzing test samples containing target analytes including proteins and nucleic acids; uses a surface acoustic wave sensor in combination with a hydrogel to obtain an ultra sensitive non-fluorescent detection system ATONOMICS A/S (DK) 2009-01-06 US claimed
EP-1804059-A2 Surface acoustic wave sensor comprising a hydrogel Atonomics A/S (DK) 2007-07-04 EP claimed
EP-1756562-A1 SURFACE ACOUSTIC WAVE SENSOR COMPRISING A HYDROGEL Atonomics A/S (DK) 2007-02-28 EP claimed
US-20060024813-A1 For analyzing test samples containing target analytes including proteins and nucleic acids; uses a surface acoustic wave sensor in combination with a hydrogel to obtain an ultra sensitive non-fluorescent detection system ATONOMICS A/S 2006-02-02 US claimed
WO-2005114166-A1 SURFACE ACOUSTIC WAVE SENSOR COMPRISING A HYDROGEL ATONOMICS A/S (DK) 2005-12-01 WO claimed
EP-2909606-B1 DEVICE AND METHODS OF USING DEVICE FOR DETECTION OF AMINOACIDOPATHIES UNIV MARYLAND (US) 2023-12-06 EP disclosed
EP-3540429-B1 DEVICE AND METHODS OF USING DEVICE FOR DETECTION OF HYPERAMMONEMIA UNIV MARYLAND (US) 2020-11-11 EP disclosed
US-10620187-B2 Device and methods of using device for detection of hyperammonemia UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2020-04-14 US disclosed
US-10591495-B2 Device and methods of using device for detection of hyperammonemia UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2020-03-17 US disclosed
EP-3540429-A1 DEVICE AND METHODS OF USING DEVICE FOR DETECTION OF HYPERAMMONEMIA University of Maryland, College Park (US) 2019-09-18 EP disclosed
US-10392646-B2 Device and methods of using device for detection of aminoacidopathies UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2019-08-27 US disclosed
EP-3039422-B1 DEVICE AND METHODS OF USING DEVICE FOR DETECTION OF HYPERAMMONEMIA UNIV MARYLAND (US) 2019-01-09 EP disclosed
US-8092993-B2 Hydrogel thin film for use as a biosensor NELLCOR PURITAN BENNETT LLC (US) 2012-01-10 US disclosed
US-20110068656-A1 SURFACE ACOUSTIC WAVE SENSOR SYSTEM SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-03-24 US disclosed
US-20090170124-A1 HYDROGEL THIN FILM FOR USE AS A BIOSENSOR NELLCOR PURITAN BENNETT LLC (US) 2009-07-02 US disclosed
US-7473551-B2 For analyzing test samples containing target analytes including proteins and nucleic acids; uses a surface acoustic wave sensor in combination with a hydrogel to obtain an ultra sensitive non-fluorescent detection system ATONOMICS A/S (DK) 2009-01-06 US disclosed
EP-1804059-A2 Surface acoustic wave sensor comprising a hydrogel Atonomics A/S (DK) 2007-07-04 EP disclosed
EP-1756562-A1 SURFACE ACOUSTIC WAVE SENSOR COMPRISING A HYDROGEL Atonomics A/S (DK) 2007-02-28 EP disclosed
US-20060024813-A1 For analyzing test samples containing target analytes including proteins and nucleic acids; uses a surface acoustic wave sensor in combination with a hydrogel to obtain an ultra sensitive non-fluorescent detection system ATONOMICS A/S 2006-02-02 US disclosed
WO-2005114166-A1 SURFACE ACOUSTIC WAVE SENSOR COMPRISING A HYDROGEL ATONOMICS A/S (DK) 2005-12-01 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 (1 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-10591495-B2 Device and methods of using device for detection of hyperammonemia ASS1, ALPL, SLCO2B1 THRB 3311/4885TSHR 2398/4885ALDH1A1 1469/4885

“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.