SCHEMBL1241402

SCHEMBL1241402

O=C(CN1CCCCC1)ON1C(=O)CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 7/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CHRM2 P08172 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ CHRM5 P08912 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ HTT P42858 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ MAOB P27338 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34

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
Bromoacetic Acid SCHEMBL5150463 0.91 KMT2A (0.38) GAAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL17053358 0.87 HSD17B10 (0.36) KMT2AALDH1A1MEN1SMN1; SMN2CHRM2
SCHEMBL17057486 0.87 HSD17B10 (0.36) KMT2AALDH1A1MEN1SMN1; SMN2CHRM2
SCHEMBL560792 0.84 HSD17B10 (0.39) KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL15518427 0.84 HSD17B10 (0.39) KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL12906770 0.83 ALOX15 (0.37) GAAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL10475746 0.83 ALOX15 (0.37) GAAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL18118469 0.83 ALOX15 (0.37) GAAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL20750016 0.83 KMT2A (0.41) GAAKMT2AALDH1A1MEN1KDM4E
SCHEMBL1241407 0.83 CHRM5 (0.39) KMT2AMEN1CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697604-B2 Labeling agents for mass spectrometry comprising tertiary amines ELECTROPHORETICS LIMITED (GB) 2014-04-15 — — US disclosed
US-8679773-B2 Kits pertaining to analyte determination DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2014-03-25 — — US disclosed
EP-2251334-B1 Labeling reagents and labeled analytes DH TECHNOLOGIES DEV PTE LTD (SG) 2013-08-14 — — EP disclosed
EP-1606623-B1 LABELLING AGENTS FOR MASS SPECTROMETRY COMPRISING TERTIARY AMINES ELECTROPHORETICS LTD (GB) 2013-05-22 — — EP disclosed
EP-1606623-B1 LABELLING AGENTS FOR MASS SPECTROMETRY COMPRISING TERTIARY AMINES ELECTROPHORETICS LTD (GB) 2013-05-22 — — EP disclosed
US-8273706-B2 Isobarically labeled analytes and fragment ions derived therefrom DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2012-09-25 — — US disclosed
US-20110217720-A1 Compositions and Kits Pertaining to Analyte Determination PAPPIN DARRYL J C 2011-09-08 — — US disclosed
EP-1588145-B1 METHODS, MIXTURES, KITS AND COMPOSITIONS PERTAINING TO ANALYTE DETERMINATION LIFE TECHNOLOGIES CORP (US) 2011-07-06 — — EP disclosed
US-7947513-B2 Sets and compositions pertaining to analyte determination DH Technologies Ptd. Ltd. (SG) 2011-05-24 — — US disclosed
US-7910059-B2 For the determination of an analyte or analytes such as proteins, peptides, nucleic acids, carbohydrates, lipids, steroids and small molecules by mass analysis DH TECHNOLOGIES PTE. LTD. (SG) 2011-03-22 — — US disclosed
US-20060105416-A1 Methods, compositions and kits pertaining to analyte determination APPLERA CORPORATION (US) 2006-05-18 — — US disclosed
EP-1606623-A2 LABELLING AGENTS FOR MASS SPECTROMETRY COMPRISING TERTIARY AMINES Xzillion GmbH & CO.KG (DE) 2005-12-21 — — EP disclosed
EP-1588145-A2 METHODS, MIXTURES, KITS AND COMPOSITIONS PERTAINING TO ANALYTE DETERMINATION Applera Corporation (US) 2005-10-26 — — EP disclosed
WO-2005068446-A1 LABELING REAGENTS, LABELED ANALYTES, INCLUDING MIXTURES THEREOF, AND FRAGMENT IONS DERIVED THEREFROM AND METHODS FOR THE ANALYSIS THEREOF APPLERA CORPORATION (US) 2005-07-28 — — WO disclosed
US-20050148087-A1 Isobarically labeled analytes and fragment ions derived therefrom APPLERA CORPORATION 2005-07-07 — — US disclosed
US-20040219685-A1 Methods and mixtures pertaining to analyte determination using electrophilic labeling reagents APPLERA CORPORATION 2004-11-04 — — US disclosed
US-20040220412-A1 Compositions and kits pertaining to analyte determination APPLE CORPORATION 2004-11-04 — — US disclosed
US-20040219686-A1 Methods and mixtures pertaining to analyte determination APPLIED BIOSYSTEMS, LLC 2004-11-04 — — US disclosed
WO-2004086050-A2 LABELLING AGENTS FOR MASS SPECTROMETRY COMPRISING TERTIARY AMINES XZILLION GMBH & CO. KG (DE) 2004-10-07 — — WO disclosed
WO-2004070352-A2 METHODS, MIXTURES, KITS AND COMPOSITIONS PERTAINING TO ANALYTE DETERMINATION APPLERA CORPORATION (US) 2004-08-19 — — 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-20060105416-A1 Methods, compositions and kits pertaining to analyte determination SRMS, SHBG, KLK3 GAA 927/4885KMT2A 2527/4885ALDH1A1 320/4885
US-20050148087-A1 Isobarically labeled analytes and fragment ions derived therefrom KLK3, SRMS, PTMS GAA 1405/4885KMT2A 4071/4885ALDH1A1 538/4885
US-20040220412-A1 Compositions and kits pertaining to analyte determination KLK3, SRMS, SHBG GAA 1012/4885KMT2A 3232/4885ALDH1A1 263/4885

“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.

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