SCHEMBL25886

SCHEMBL25886

CCCCC1OCCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
EPHX1 P07099 1/20 0.41
CYP1A2 P05177 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.35
SPHK2 Q9NRA0 3/20 0.33
SPHK1 Q9NYA1 3/20 0.33
PRKD3 O94806 2/20 0.33
PRKCG P05129 2/20 0.33
PRKCB P05771 2/20 0.33
PRKCA P17252 2/20 0.33
PRKCH P24723 2/20 0.33
PRKCI P41743 2/20 0.33
PRKCE Q02156 2/20 0.33
PRKCQ Q04759 2/20 0.33
PRKCZ Q05513 2/20 0.33
PRKCD Q05655 2/20 0.33
PRKD1 Q15139 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL5945086 0.95 ALDH1A1 (0.44) ALDH1A1EPHX1CYP1A2SMN1; SMN2SPHK2
SCHEMBL2754170 0.93 ALDH1A1 (0.54) ALDH1A1EPHX1CYP1A2SMN1; SMN2SPHK2
SCHEMBL3093222 0.91 ALDH1A1 (0.58) ALDH1A1EPHX1CYP1A2SPHK2SPHK1
SCHEMBL14779416 0.91 ALDH1A1 (0.58) ALDH1A1EPHX1CYP1A2SPHK2SPHK1
SCHEMBL1666932 0.91 ALDH1A1 (0.58) ALDH1A1EPHX1CYP1A2SPHK2SPHK1
SCHEMBL14779270 0.91 ALDH1A1 (0.58) ALDH1A1EPHX1CYP1A2SPHK2SPHK1
SCHEMBL1668995 0.91 ALDH1A1 (0.58) ALDH1A1EPHX1CYP1A2SPHK2SPHK1
SCHEMBL14779341 0.91 ALDH1A1 (0.58) ALDH1A1EPHX1CYP1A2SPHK2SPHK1
SCHEMBL6896512 0.91 ALDH1A1 (0.58) ALDH1A1EPHX1CYP1A2SPHK2SPHK1
SCHEMBL25949 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130102641-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2013-04-25 US claimed
US-7790708-B2 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. (US) 2010-09-07 US claimed
JP-4216713-B2 2009-01-28 JP claimed
EP-1902714-A1 Prodrugs of gaba analogs, compositions and uses thereof Xenoport, Inc. (US) 2008-03-26 EP claimed
EP-1404324-B1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2007-12-05 EP claimed
US-7060727-B2 Prodrugs of fused GABA analogs, pharmaceutical compositions and uses thereof XENOPORT, INC. (US) 2006-06-13 US claimed
EP-1404324-A4 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2004-12-22 EP claimed
JP-2004536873-A 2004-12-09 JP claimed
US-20040147455-A1 Prodrugs of fused GABA analogs, pharmaceutical compositions and uses thereof XENOPORT, INC. 2004-07-29 US claimed
WO-2004052360-A1 PRODRUGS OF FUSED GABA ANALOGS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2004-06-24 WO claimed
EP-1404324-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2004-04-07 EP claimed
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2003-09-18 US claimed
WO-2002100347-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2002-12-19 WO claimed
CN-113557327-B Polyacetal fiber, method for producing same, and material for drawing 三菱瓦斯化学株式会社 2022-06-28 CN disclosed
EP-3116509-B1 A NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS UNIV COLUMBIA (US) 2022-06-22 EP disclosed
CN-113557327-A Polyacetal fiber, method for producing same, and material for drawing 三菱瓦斯化学株式会社 2021-10-26 CN disclosed
US-5744676-A DIMERIZATION, CATALYSTS AMOCO CORPORATION 1998-04-28 US disclosed
EP-0039029-B1 USE OF SUBSTITUTED 2-(1-METHYLBUTYL)-1,3-DIOXANES AS PERFUMING AGENTS AND PERFUME COMPOSITIONS CONTAINING THEM Henkel Kommanditgesellschaft auf Aktien (DE) 1984-07-04 EP disclosed
EP-0039029-A2 Use of substituted 2-(1-methylbutyl)-1,3-dioxanes as perfuming agents and perfume compositions containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1981-11-04 EP disclosed
US-4104247-A PROPYLENE HOMO- OR COPOLYMERS ALUMINIC ESTERS MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1978-08-01 US 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-20130102641-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885EPHX1 846/4885CYP1A2 135/4885
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885EPHX1 846/4885CYP1A2 135/4885
US-20040147455-A1 Prodrugs of fused GABA analogs, pharmaceutical compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 380/4885EPHX1 1218/4885CYP1A2 245/4885

“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.