SCHEMBL2364898

SCHEMBL2364898

CCCCCN/C=C/C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.50
ADH1B P00325 2/20 0.50
ADH1C P00326 2/20 0.50
ADH1A P07327 2/20 0.50
ADH7 P40394 2/20 0.50
ADH4 P08319 1/20 0.50
HCAR2 Q8TDS4 3/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
PLA2G1B P04054 3/20 0.41
ATG4B Q9Y4P1 3/20 0.41
THRA P10827 1/20 0.40
THRB P10828 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
SCHEMBL1566984 1.00 EPHX1 (0.50) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL8931323 0.98 EPHX1 (0.54) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL3277867 0.98 EPHX1 (0.54) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL3278556 0.98 EPHX1 (0.54) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL3278822 0.98 EPHX1 (0.54) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL3283014 0.94 ADH1B (0.48) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL3279314 0.85
SCHEMBL9580783 0.82 EPHX1 (0.48) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL28178568 0.82 EPHX1 (0.54) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL1005048 0.80 HCAR2 (0.42) EPHX1ADH1BADH1CADH1AADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214813-B2 Preparation of chiral cyclic amino acids and derivatives THE PENN STATE RESEARCH FOUNDATION (US) 2007-05-08 US claimed
US-20040242889-A1 Preparation of chiral cyclic amino acids and derivatives THE PENN STATE RESEARCH FOUNDATION 2004-12-02 US claimed
WO-2004011414-A1 E-ISOMERIC β-AROMATIC OR HETEROAROMATIC SUBSTITUTED β-ACYLAMINO-ACRYLATES AND METHODS OF PREPARING THE SAME DSM IP ASSETS B.V. (NL) 2004-02-05 WO claimed
US-7994355-B2 Metallocene-based chiral phosphine or arsine ligands SOLVIAS AG (CH) 2011-08-09 US disclosed
EP-1844061-B1 METALLOCENE-BASED PHOSPHORUS CHIRAL PHOSPHINES SOLVIAS AG (CH) 2010-08-04 EP disclosed
EP-1709054-B1 METALLOCENE-BASED CHIRAL PHOSPHINE OR ARSINE LIGANDS PHOENIX CHEMICALS LTD (GB) 2009-03-04 EP disclosed
EP-1725570-B1 PROCESS FOR THE PRODUCTION OF ASYMMETRIC TRANSFORMATION CATALYSTS PHOENIX CHEMICALS LTD (GB) 2008-08-13 EP disclosed
EP-1844061-A1 METALLOCENE-BASED PHOSPHORUS CHIRAL PHOSPHINES Phoenix Chemicals Limited (GB) 2007-10-17 EP disclosed
US-20070161762-A1 Metallocene-based chiral phosphine or arsine ligands PHOENIX CHEMICALS LIMITED (GB) 2007-07-12 US disclosed
US-7214813-B2 Preparation of chiral cyclic amino acids and derivatives THE PENN STATE RESEARCH FOUNDATION (US) 2007-05-08 US disclosed
US-7169953-B2 P-chiral phospholanes and phosphocyclic compounds and their use in asymmetric catalytic reactions THE PENN STATE RESEARCH FOUNDATION (US) 2007-01-30 US disclosed
US-20050119495-A1 P-chiral phospholanes and phosphocyclic compounds and their use in asymmetric catalytic reactions THE PENN STATE RESEARCH FOUNDATION 2005-06-02 US disclosed
US-20050014633-A1 Biphenyldiphosphine compounds HONG KONG POLYTECHNIC UNIVERSITY, THE (HK) 2005-01-20 US disclosed
US-20040242889-A1 Preparation of chiral cyclic amino acids and derivatives THE PENN STATE RESEARCH FOUNDATION 2004-12-02 US disclosed
US-20040229846-A1 P-chiral phospholanes and phosphocyclic compounds and their use in asymmetric catalytic reactions THE PENN STATE RESEARCH FOUNDATION 2004-11-18 US disclosed
WO-2004011414-A1 E-ISOMERIC β-AROMATIC OR HETEROAROMATIC SUBSTITUTED β-ACYLAMINO-ACRYLATES AND METHODS OF PREPARING THE SAME DSM IP ASSETS B.V. (NL) 2004-02-05 WO disclosed
WO-2004011414-A1 E-ISOMERIC β-AROMATIC OR HETEROAROMATIC SUBSTITUTED β-ACYLAMINO-ACRYLATES AND METHODS OF PREPARING THE SAME DSM IP ASSETS B.V. (NL) 2004-02-05 WO disclosed
EP-0117252-B1 AMINO-POLYOL DERIVATIVES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-06-24 EP disclosed
US-4501909-A CHEMICAL INTERMEDIATES IN THE SYNTHESIS OF AMINO SUGARS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1985-02-26 US disclosed
EP-0117252-A1 AMINO-POLYOL DERIVATIVES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1984-09-05 EP 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-20040229846-A1 P-chiral phospholanes and phosphocyclic compounds and their use in asymmetric catalytic reactions PNKP, PFKFB4, PFKFB3 EPHX1 504/4885ADH1B 1410/4885ADH1C 440/4885
US-20050014633-A1 Biphenyldiphosphine compounds INPP5B, PCBP1, ITPA EPHX1 1643/4885ADH1B 1871/4885ADH1C 3402/4885
US-20040242889-A1 Preparation of chiral cyclic amino acids and derivatives AADAT, PAM, BCAT2 EPHX1 4177/4885ADH1B 3524/4885ADH1C 3571/4885
US-20070161762-A1 Metallocene-based chiral phosphine or arsine ligands OSGEP, PHOSPHO1, ITPA EPHX1 3577/4885ADH1B 3785/4885ADH1C 3980/4885
US-20050119495-A1 P-chiral phospholanes and phosphocyclic compounds and their use in asymmetric catalytic reactions PFKFB4, PFKFB3, PFKFB1 EPHX1 426/4885ADH1B 993/4885ADH1C 312/4885

“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.