SCHEMBL312835

SCHEMBL312835

C[C](C)OC(=O)OC1CC2CCC1(C)C2(C)C

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CYP19A1 P11511 2/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL25381943 0.89 MAPT (0.60) MAPTMAPK1KMT2AALDH1A1LMNA
SCHEMBL20722247 0.89 MAPT (0.60) MAPTMAPK1KMT2AALDH1A1LMNA
SCHEMBL20722208 0.89 MAPT (0.60) MAPTMAPK1KMT2AALDH1A1LMNA
SCHEMBL6534784 0.85 MAPT (0.57) MAPTMAPK1KMT2AALDH1A1LMNA
SCHEMBL11047147 0.84 MAPT (0.56) MAPTMAPK1KMT2AALDH1A1LMNA
SCHEMBL20912969 0.83 MAPT (0.58) MAPTMAPK1KMT2AALDH1A1LMNA
SCHEMBL117759 0.83 MAPT (0.58) MAPTMAPK1KMT2AALDH1A1LMNA
SCHEMBL117760 0.83 MAPT (0.58) MAPTMAPK1KMT2AALDH1A1LMNA
SCHEMBL12980679 0.83 MAPT (0.58) MAPTMAPK1KMT2AALDH1A1LMNA
SCHEMBL23365822 0.83 MAPT (0.58) MAPTMAPK1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2613780-A1 METHODS FOR CONCOMITANT TREATMENT OF THEOPHYLLINE AND FEBUXOSTAT Takeda Pharmaceuticals U.S.A., Inc. (US) 2013-07-17 EP disclosed
US-20130143886-A1 METHODS FOR PRESERVING AND/OR INCREASING RENAL FUNCTION USING XANTHINE OXIDOREDUCTASE INHIBITORS TAKEDA PHARMACEUTICALS U.S.A., INC. (US) 2013-06-06 US disclosed
US-5214037-A Antibiotic, bactericide SHIONOGI & CO., LTD. (JP) 1993-05-25 US 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
EP-0481116-A1 A process for producing halomethylcarbapenems SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1992-04-22 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
EP-0348203-A1 Phenolic thioethers, their production and use SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1989-12-27 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 (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-20160317505-A1 NOVEL MODIFIED RELEASE DOSAGE FORMS OF XANTHINE OXIDOREDUCTASE INHIBITOR OR XANTHINE OXIDASE INHIBITORS XDH, PNPO, DUOX1 MAPT 3338/4885MAPK1 4009/4885KMT2A 3734/4885
US-20140329868-A1 METHODS FOR TREATING HYPERTENSION XDH, REN, CYP11B2 MAPT 3785/4885MAPK1 2553/4885KMT2A 2181/4885
US-20130143886-A1 METHODS FOR PRESERVING AND/OR INCREASING RENAL FUNCTION USING XANTHINE OXIDOREDUCTASE INHIBITORS XDH, GLS, REN MAPT 4025/4885MAPK1 2287/4885KMT2A 2973/4885

“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.