SCHEMBL3555075

SCHEMBL3555075

CCO/C=C(\CC)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.35
SOAT1 P35610 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 2/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TSHR P16473 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
SCHEMBL27043 1.00 FFAR3 (0.35) FFAR3SOAT1HCAR2GRIK1GRIK2
SCHEMBL27044 1.00 FFAR3 (0.35) FFAR3SOAT1HCAR2GRIK1GRIK2
SCHEMBL984690 0.86 FFAR3 (0.32) FFAR3SOAT1HCAR2
SCHEMBL12801028 0.84 HCAR2 (0.31) HCAR2GRIK1GRIK2
SCHEMBL30965305 0.82 HCAR2 (0.46) SOAT1HCAR2ALDH1A1
SCHEMBL31058784 0.82 HCAR2 (0.46) SOAT1HCAR2ALDH1A1
Benzophenone SCHEMBL10712584 0.82 ELANE (0.47) ALDH1A1
SCHEMBL28845613 0.82 TSHR (0.46) FFAR3HCAR2ALDH1A1KDM4ETSHR
SCHEMBL6308241 0.82 HDAC3 (0.39) FFAR3HCAR2GRIK1GRIK2ALDH1A1
SCHEMBL18044751 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0132851-B1 5-SUBSTITUTED(1,2,4)TRIAZOLO(1,5-C)PYRIMIDIN-2-AMINES AMERICAN CYANAMID COMPANY (US) 1989-10-04 EP claimed
CN-116157392-A Compounds targeting RNA binding proteins or RNA modification proteins 雷多纳治疗公司 2023-05-23 CN disclosed
CN-108473439-B Pyrazolone derivatives as nitroxyl donors 卡尔迪奥克斯尔制药公司 2022-03-15 CN disclosed
US-10723704-B2 Pyrazolone derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2020-07-28 US disclosed
US-20180318308-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. 2018-11-08 US disclosed
US-7745458-B2 Azabicyclo (3, 1, 0) hexan derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-20090221618-A1 AZABICYCLO (3, 1, 0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-09-03 US disclosed
EP-1926723-B1 AZABICYCLO (3,1,0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RCEPTORS GLAXO GROUP LTD (GB) 2009-05-13 EP disclosed
EP-1926723-A2 AZABICYCLO (3,1,0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RCEPTORS GLAXO GROUP LIMITED (GB) 2008-06-04 EP disclosed
WO-2007022934-A2 AZABICYCLO (3, 1, 0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-03-01 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 (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-10723704-B2 Pyrazolone derivatives as nitroxyl donors TNNI3, PFKP, NOX5 FFAR3 1100/4885SOAT1 2491/4885HCAR2 2261/4885
US-20090221618-A1 AZABICYCLO (3, 1, 0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS HTR5A, CHRNA5, DRD3 FFAR3 263/4885SOAT1 3813/4885HCAR2 382/4885
US-20180318308-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS TNNI3, PFKP, NOX5 FFAR3 1100/4885SOAT1 2491/4885HCAR2 2261/4885

“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.