SCHEMBL416977

SCHEMBL416977

C1CCC2(CC1)OOC1(CCCCC1)OO2

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL1456091 1.00 KDM4E (0.31) KDM4EALDH1A1MAPT
SCHEMBL1456096 1.00
SCHEMBL7900334 1.00 KDM4E (0.31) KDM4EALDH1A1MAPT
SCHEMBL3119209 1.00
SCHEMBL14720962 0.96
SCHEMBL6882890 0.85
SCHEMBL6889421 0.82
SCHEMBL6472581 0.82
SCHEMBL3304905 0.80 TRIM24 (0.43) ALDH1A1
SCHEMBL3309008 0.80 TRIM24 (0.43) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0595424-B1 Composition and procedure for the preparation of organic glasses GREAT LAKES CHEMICAL ITALIA (IT) 1998-05-13 EP claimed
US-5599876-A POLYMERIZABLE LIQUID CONSISTS OF POLYMERIZABLE POLY(ALLYL CARBONATE) OF ALIPHATIC OR CYCLO-ALIPHATIC POLYOL, AN ORGANIC PEROXIDE GENERATOR OF FREE-RADICALS, AN ORGANIC DYE OR PHOTOCHROMIC COMPOUND ENICHEM SYNTHESIS S.P.A. (IT) 1997-02-04 US claimed
EP-0595424-A2 Composition and procedure for the preparation of organic glasses GREAT LAKES CHEMICAL ITALIA S.r.l. (IT) 1994-05-04 EP claimed
CN-118871529-A Thermoplastic resin composition 三井化学株式会社 2024-10-29 CN disclosed
WO-2021103798-A1 METHOD FOR PREPARING LACTONE COMPOUND 浙江大学 2021-06-03 WO disclosed
CN-110818671-B Method for preparing lactone compounds 浙江大学 2021-04-20 CN disclosed
CN-110818671-A Method for preparing lactone compounds 浙江大学 2020-02-21 CN disclosed
EP-2636665-B1 METHOD FOR PRODUCING ESTER UNIV NAGOYA NAT UNIV CORP (JP) 2016-06-22 EP disclosed
US-8865353-B2 Nonaqueous electrolyte and lithium cell using the same UBE INDUSTRIES, LTD. (JP) 2014-10-21 US disclosed
US-8853426-B2 Method for manufacturing ester NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-10-07 US disclosed
US-8853426-B2 Method for manufacturing ester NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-10-07 US disclosed
US-6906205-B2 Spiro and dispiro 1,2,4-trioxolane antimalarials MEDICINES FOR MALARIA VENTURE MMV (CH) 2005-06-14 US disclosed
US-6825230-B2 PEROXY COMPOUNDS SUCH AS ADAMANTANE-2-SPIRO-3'-8'-((1'S)-10'-CAMPHORSULFONYL)-1',2',4'-TRIOXA-8' -AZASPIRO(4.5) DECANE, USED FOR PROPHYLAXIS OF MALARIA OR SCHISTOSOMIASIS INFECTIONS MEDICINES FOR MALARIA VENTURE MMV (CH) 2004-11-30 US disclosed
US-20040186168-A1 Such as spiroadamantane on one side and 4-substituted spiro-cyclohexyl on other side; structurally simple, nontoxic, easy synthesis, potent parasiticides MEDICINES FOR MALARIA VENTURE MMV (CH) 2004-09-23 US disclosed
EP-1414813-A1 1,2,4-TRIOXOLANE ANTIMALARIALS Medicines for Malaria Venture (CH) 2004-05-06 EP disclosed
US-20040039008-A1 Spiro and dispiro 1,2,4-trioxolane antimalarials MEDICINES FOR MALARIA VENTURES MMV (CH) 2004-02-26 US disclosed
WO-2003000676-A1 1,2,4-TRIOXOLANE ANTIMALARIALS MEDICINES FOR MALARIA VENTURE (CH) 2003-01-03 WO disclosed
EP-0595424-B1 Composition and procedure for the preparation of organic glasses GREAT LAKES CHEMICAL ITALIA (IT) 1998-05-13 EP disclosed
US-5599876-A POLYMERIZABLE LIQUID CONSISTS OF POLYMERIZABLE POLY(ALLYL CARBONATE) OF ALIPHATIC OR CYCLO-ALIPHATIC POLYOL, AN ORGANIC PEROXIDE GENERATOR OF FREE-RADICALS, AN ORGANIC DYE OR PHOTOCHROMIC COMPOUND ENICHEM SYNTHESIS S.P.A. (IT) 1997-02-04 US disclosed
EP-0595424-A2 Composition and procedure for the preparation of organic glasses GREAT LAKES CHEMICAL ITALIA S.r.l. (IT) 1994-05-04 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 (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-20040039008-A1 Spiro and dispiro 1,2,4-trioxolane antimalarials DHODH, THPO, SQLE KDM4E 4113/4885ALDH1A1 212/4885MAPT 4003/4885
US-20040186168-A1 Such as spiroadamantane on one side and 4-substituted spiro-cyclohexyl on other side; structurally simple, nontoxic, easy synthesis, potent parasiticides DHODH, SQLE, SULT1E1 KDM4E 3092/4885ALDH1A1 135/4885MAPT 4485/4885

“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.