SCHEMBL5133602

SCHEMBL5133602

CCC1(CC)OCC(CCO)O1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL2879251 1.00 ALDH1A1 (0.32) ALDH1A1MAPTKDM4EGAA
SCHEMBL12943644 0.83 HSP90AA1 (0.33) ALDH1A1
SCHEMBL714279 0.83 CHRM2 (0.31)
SCHEMBL9597464 0.83 CHRM2 (0.31)
SCHEMBL8942860 0.82
SCHEMBL8942857 0.82
SCHEMBL13283453 0.81 CHRM2 (0.33)
SCHEMBL10737649 0.80
SCHEMBL14429331 0.79
SCHEMBL13393993 0.77

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103319450-A Preparation method of optical active (S)-2-(2,2-substitute-1,3-dioxolane-4-yl) ethanol UNIV FUDAN 2013-09-25 CN disclosed
US-8415347-B2 Substituted tetracyclic tetahydrofuran, pyrrolidine and tetrahydrothiophene derivatives JANSSEN PHARMACEUTICA, NV (BE) 2013-04-09 US disclosed
US-8415347-B2 Substituted tetracyclic tetahydrofuran, pyrrolidine and tetrahydrothiophene derivatives JANSSEN PHARMACEUTICA, NV (BE) 2013-04-09 US disclosed
US-20100331325-A1 NOVEL SUBSTITUTED TETRACYCLIC TETRAHYDROFURAN, PYRROLIDINE AND TETRAHYDROTHIOPHENE DERIVATIVES CID-NUNEZ JOSE MARIA 2010-12-30 US disclosed
US-7799785-B2 Substituted tetracyclic tetahydrofuran, pyrrolidine and tetrahydrothiophene derivatives JANSSEN PHARMACEUTICA NV (BE) 2010-09-21 US disclosed
US-20090023721-A1 Novel Substituted Tetracyclic Tetrahydrofuran, Pyrrolidine and Tetrahydrothiophene Derivatives and Their Use as a Medicament MEGENS ANTONIUS ADRIANUS HENDR 2009-01-22 US disclosed
US-20080287450-A1 Novel Substituted Tetracyclic Tetahydrofuran, Pyrrolidine And Tetrahydrothiophene Derivatives JANSSEN PHARMACEUTICA, NV (BE) 2008-11-20 US disclosed
EP-1891073-A1 NOVEL SUBSTITUTED TETRACYCLIC TETRAHYDROFURAN, PYRROLIDINE AND TETRAHYDROTHIOPHENE DERIVATIVES AND THEIR USE AS A MEDICAMENT JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-27 EP disclosed
EP-1824820-A2 SUBSTITUTED TETRACYCLIC TETRAHYDROFURAN,PYRROLIDINE AND TETRAHYDROTHIOPHENE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-29 EP disclosed
WO-2006125812-A1 NOVEL SUBSTITUTED TETRACYCLIC TETRAHYDROFURAN, PYRROLIDINE AND TETRAHYDROTHIOPHENE DERIVATIVES AND THEIR USE AS A MEDICAMENT JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-30 WO disclosed
WO-2006061392-A2 SUBSTITUTED TETRACYCLIC TETRAHYDROFURAN, PYRROLIDINE AND TETRAHYDROTHIOPHENE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-15 WO disclosed
US-20050048108-A1 Sulphur-containing amphiphilic agents for the transfer of biologically active molecules into cells G.O.T. THERAPEUTICS GMBH (DE) 2005-03-03 US disclosed
EP-1345893-A2 SULPHUR-CONTAINING AMPHIPHILIC AGENTS FOR THE TRANSFER OF BIOLOGICALLY ACTIVE MOLECULES INTO CELLS G.O.T. Therapeutics GmbH (DE) 2003-09-24 EP disclosed
WO-2002051800-A2 SULPHUR-CONTAINING AMPHIPHILIC AGENTS FOR THE TRANSFER OF BIOLOGICALLY ACTIVE MOLECULES INTO CELLS G.O.T. THERAPEUTICS GMBH (DE) 2002-07-04 WO disclosed
EP-0467721-B1 Optically active compound having a delta- valerolactone ring and liquid crystal composition containing same MITSUBISHI RAYON CO (JP) 1996-03-27 EP disclosed
US-5480580-A COMPOUNDS FOR VISUAL AIDS WITH GOOD STABILITY MITSUBISHI RAYON COMPANY LTD. (JP) 1996-01-02 US disclosed
EP-0467721-A1 Optically active compound having a delta- valerolactone ring and liquid crystal composition containing same MITSUBISHI RAYON CO., LTD (JP) 1992-01-22 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-20100331325-A1 NOVEL SUBSTITUTED TETRACYCLIC TETRAHYDROFURAN, PYRROLIDINE AND TETRAHYDROTHIOPHENE DERIVATIVES HTR2C, TPH2, HTR2A ALDH1A1 556/4885MAPT 1309/4885KDM4E 4527/4885
US-20090023721-A1 Novel Substituted Tetracyclic Tetrahydrofuran, Pyrrolidine and Tetrahydrothiophene Derivatives and Their Use as a Medicament HTR2C, HTR5A, TPH2 ALDH1A1 496/4885MAPT 1775/4885KDM4E 4378/4885
US-20080287450-A1 Novel Substituted Tetracyclic Tetahydrofuran, Pyrrolidine And Tetrahydrothiophene Derivatives TPH2, HTR2C, TPH1 ALDH1A1 454/4885MAPT 1690/4885KDM4E 3796/4885
US-20050048108-A1 Sulphur-containing amphiphilic agents for the transfer of biologically active molecules into cells PHOSPHO1, SNRPE, SELENOI ALDH1A1 2138/4885MAPT 4102/4885KDM4E 3894/4885

“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.