SCHEMBL25721

SCHEMBL25721

CCC[C](OCC)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
ALOX15 P16050 2/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
FFAR3 O14843 3/20 0.33
HDAC3 O15379 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC8 Q9BY41 3/20 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
SCHEMBL8541442 0.85
SCHEMBL1995648 0.81 CES1 (0.41) ALDH1A1LMNAHSD17B10CA12CA1
SCHEMBL1066094 0.79 DGKA (0.44) ALDH1A1HSD17B10ALOX15CES2CES1
SCHEMBL9629142 0.77 DGKA (0.48) ALDH1A1HSD17B10ALOX15CES2CES1
SCHEMBL9628764 0.77 DGKA (0.48) ALDH1A1HSD17B10ALOX15CES2CES1
SCHEMBL9630878 0.77 DGKA (0.48) ALDH1A1HSD17B10ALOX15CES2CES1
SCHEMBL9629133 0.77 DGKA (0.48) ALDH1A1HSD17B10ALOX15CES2CES1
SCHEMBL2199092 0.77 DGKA (0.48) ALDH1A1HSD17B10ALOX15CES2CES1
SCHEMBL9629173 0.77 DGKA (0.48) ALDH1A1HSD17B10ALOX15CES2CES1
SCHEMBL9629686 0.77 DGKA (0.48) ALDH1A1HSD17B10ALOX15CES2CES1

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 101 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
CN-101381339-A Prodrugs of gaba analogs, compositions and uses thereof XENOPORT INC (US) 2009-03-11 CN 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
CN-1753673-A Prodrugs of gaba analogs, compositions and uses thereof XENOPORT INC (US) 2006-03-29 CN 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
US-5217985-A RENAL-SELECTIVE BIPHENYLALKYL 1H-SUBSTITUTED-1,2,4-TRIAZOLE ANGIOTENSIN II ANTAGONISTS FOR TREATMENT OF HYPERTENSION G. D. SEARLE & CO. (US) 1993-06-08 US claimed
US-5120849-A Reacting cyclic imidoether with aminoalcohol BASF AKTIENGESELLSCHAFT (DE) 1992-06-09 US claimed
US-20160090353-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2016-03-31 US disclosed
EP-0244786-B1 PROCESS FOR PREPARING 0-SUBSTITUTED HYDROXYLAMINES BASF Aktiengesellschaft (DE) 1991-03-06 EP disclosed
EP-0244786-A1 Process for preparing 0-substituted hydroxylamines BASF Aktiengesellschaft (DE) 1987-11-11 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 (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-20160090353-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885LMNA 3012/4885HSD17B10 734/4885
US-20130102641-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885LMNA 3012/4885HSD17B10 734/4885
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885LMNA 3012/4885HSD17B10 734/4885
US-20040147455-A1 Prodrugs of fused GABA analogs, pharmaceutical compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 380/4885LMNA 3012/4885HSD17B10 720/4885

“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.