SCHEMBL359138

SCHEMBL359138

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
ALDH1A1 P00352 3/20 0.37
TSHR P16473 3/20 0.37
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 2/20 0.30
LMNA P02545 2/20 0.30
TDP1 Q9NUW8 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
SCHEMBL4464867 0.79 GAA (0.44) GAAALDH1A1TSHRCYP2D6CYP2C9
SCHEMBL317990 0.77 GAA (0.42) GAAALDH1A1TSHRCYP2D6CYP2C9
Bromide SCHEMBL9125384 0.77 GAA (0.42) GAAALDH1A1TSHRCYP2D6CYP2C19
SCHEMBL5201001 0.77 GAA (0.42) GAAALDH1A1TSHR
SCHEMBL2717509 0.77 GAA (0.42) GAAALDH1A1TSHRLMNATDP1
SCHEMBL23520081 0.77 GAA (0.37) GAAHSD17B10LMNATDP1
SCHEMBL18253 0.77 GAA (0.42) GAAALDH1A1TSHR
Hydrochloric Acid SCHEMBL338771 0.77 GAA (0.42) GAAALDH1A1TSHRCYP2D6CYP2C19
SCHEMBL6315329 0.77 GAA (0.42) GAAALDH1A1TSHR
SCHEMBL18494799 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170347647-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-12-07 US disclosed
US-20170347647-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-12-07 US disclosed
EP-3235799-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2017-10-25 EP disclosed
WO-2016098899-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE 日産化学工業株式会社 2016-06-23 WO disclosed
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-6900215-B2 For therapy of disorders of central nervous system, including anxiety, convulsions and cognitive disorders MERCK SHARP & DOHME LTD. (GB) 2005-05-31 US disclosed
CN-1498218-A Imidazo-pyrimidine derivatives as GABA receptor ligands Ĭ�ˡ�����-��ķ��˾ 2004-05-19 CN disclosed
US-20040092533-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2004-05-13 US disclosed
EP-1383768-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2004-01-28 EP disclosed
EP-1381606-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2004-01-21 EP disclosed
WO-2003015774-A1 COMPOUNDS EFFECTING GLUCOKINASE ASTRAZENECA AB (SE) 2003-02-27 WO disclosed
US-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME (UK) LIMITED (GB) 2002-12-19 US disclosed
WO-2002076983-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-10-03 WO disclosed
WO-2002074772-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-09-26 WO disclosed
WO-2002074773-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-09-26 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 (4 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-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA1, GABRA2 GAA 3920/4885ALDH1A1 404/4885TSHR 240/4885
US-20040092533-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA1, GABRA4 GAA 3656/4885ALDH1A1 495/4885TSHR 448/4885
US-20170347647-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE OR10J3, CYP1B1, CBR3 GAA 3886/4885ALDH1A1 517/4885TSHR 1310/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 GAA 916/4885ALDH1A1 166/4885TSHR 1199/4885

“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.