SCHEMBL312980

SCHEMBL312980

O=C(O[CH]C1CCCCC1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.38
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MIF P14174 2/20 0.37
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
EPHX1 P07099 1/20 0.35
POLB P06746 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ELANE P08246 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
SCHEMBL14763815 0.77 CES2 (0.46) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL6881837 0.77 CES2 (0.46) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL15823364 0.76 EPHX1 (0.37) CES2CES1SMN1; SMN2HTTEPHX1
SCHEMBL2900646 0.76 CES2 (0.33) CES2CES1SMN1; SMN2ALDH1A1TSHR
SCHEMBL63153 0.76 CES2 (0.44) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL1441061 0.76 CES2 (0.44) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL15442771 0.76 CES2 (0.44) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL106920 0.76 CES2 (0.44) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL15442922 0.76 CES2 (0.44) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL15443495 0.76 CES2 (0.44) CES2CES1SMN1; SMN2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5597943-A Phospholipase A2 inhibitor SHIONOGI & CO., LTD. (JP) 1997-01-28 US claimed
US-5268386-A Containing a carboxy group SHIONOGI & CO., LTD. (JP) 1993-12-07 US claimed
US-4731362-A Alkylcarbamoyloxymethylcephem compounds SHIONOGI & CO., LTD. (JP) 1988-03-15 US claimed
US-9937157-B2 Modified release dosage forms of xanthine oxidoreductase inhibitor or xanthine oxidase inhibitors TAKEDA PHARMACEUTICALS U.S.A., INC. (US) 2018-04-10 US disclosed
EP-2582812-B1 NOVEL MODIFIED RELEASE DOSAGE FORMS OF XANTHINE OXIDOREDUCTASE INHIBITOR OR XANTHINE OXIDASE INHIBITORS TAKEDA PHARMACEUTICALS USA INC (US) 2018-01-24 EP disclosed
US-20160317505-A1 NOVEL MODIFIED RELEASE DOSAGE FORMS OF XANTHINE OXIDOREDUCTASE INHIBITOR OR XANTHINE OXIDASE INHIBITORS TAKEDA PHARMACEUTICALS U.S.A., INC. (US) 2016-11-03 US disclosed
US-9248119-B2 Modified release dosage forms of xanthine oxidoreductase inhibitor or xanthine oxidase inhibitors TAKEDA PHARMACEUTICALS U.S.A., INC. (US) 2016-02-02 US disclosed
US-9107912-B2 Methods for concomitant treatment of theophylline and febuxostat TAKEDA PHARMACEUTICALS U.S.A., INC. (US) 2015-08-18 US disclosed
EP-2613780-B1 METHODS FOR CONCOMITANT TREATMENT OF THEOPHYLLINE AND FEBUXOSTAT TAKEDA PHARMACEUTICALS USA INC (US) 2014-11-12 EP disclosed
US-20140329868-A1 METHODS FOR TREATING HYPERTENSION TAKEDA PHARMACEUTICALS USA INC (US) 2014-11-06 US disclosed
US-8586762-B2 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-19 US disclosed
US-5214037-A Antibiotic, bactericide SHIONOGI & CO., LTD. (JP) 1993-05-25 US disclosed
EP-0528678-A1 A pyrrolidylthiocarbapenem derivative SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1993-02-24 EP disclosed
EP-0348203-B1 PHENOLIC THIOETHERS, THEIR PRODUCTION AND USE SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1993-02-24 EP disclosed
EP-0521524-A1 Aminooxypyrrolidinylthiocarbapenem compounds SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-01-07 EP disclosed
US-5084214-A Compounds for the treatment of artheriosclerosis SHIONOGI & CO., LTD. (JP) 1992-01-28 US disclosed
EP-0467647-A2 Thioalkylthio cephalosporin derivatives SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1992-01-22 EP disclosed
US-5064954-A Phosphorylation of hydroxymethylcarbapem and halogenation; bactericides SHIONOGI & CO., LTD. (JP) 1991-11-12 US disclosed
EP-0415566-A1 Heterocyclic compounds, processes for producing them and pharmaceutical compositions comprising them SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1991-03-06 EP disclosed
US-4731362-A Alkylcarbamoyloxymethylcephem compounds SHIONOGI & CO., LTD. (JP) 1988-03-15 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 (2 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-20160317505-A1 NOVEL MODIFIED RELEASE DOSAGE FORMS OF XANTHINE OXIDOREDUCTASE INHIBITOR OR XANTHINE OXIDASE INHIBITORS XDH, PNPO, DUOX1 CES2 349/4885CES1 325/4885SMN1; SMN2 1806/4885
US-20140329868-A1 METHODS FOR TREATING HYPERTENSION XDH, REN, CYP11B2 CES2 160/4885CES1 467/4885SMN1; SMN2 3323/4885

“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.