SCHEMBL220206

SCHEMBL220206

CC1(C)OC[C@](C)(CO)O1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
CHRM2 P08172 1/20 0.31
CHRM1 P11229 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
SCHEMBL3150105 1.00 EPHX1 (0.40) EPHX1CHRM2CHRM1
SCHEMBL3150097 1.00 EPHX1 (0.40) EPHX1CHRM2CHRM1
SCHEMBL14583499 0.81 CHRM2 (0.32) EPHX1CHRM2CHRM1
SCHEMBL1668773 0.80 EPHX1 (0.46) EPHX1
SCHEMBL23539640 0.80 EPHX1 (0.32) EPHX1
SCHEMBL1898713 0.80 EPHX1 (0.32) EPHX1
SCHEMBL1898712 0.80 EPHX1 (0.32) EPHX1
SCHEMBL2849458 0.78 KDM4E (0.33) EPHX1
SCHEMBL8961002 0.78 KDM4E (0.33) EPHX1
SCHEMBL8960784 0.78 KDM4E (0.33) EPHX1

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-0388778-B1 Preparation of dioxolane derivatives HOFFMANN LA ROCHE (CH) 1996-01-10 EP claimed
EP-0388778-A2 Preparation of dioxolane derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-09-26 EP claimed
WO-2015031984-A1 HALOGENATED COMPOUNDS FOR CANCER IMAGING AND TREATMENT AND METHODS FOR THEIR USE BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2015-03-12 WO disclosed
US-8304409-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2012-11-06 US disclosed
US-8222277-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2012-07-17 US disclosed
US-8088762-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2012-01-03 US disclosed
US-20110098253-A1 Nitrosated Nonsteroidal Antiinflammatory Compounds, Compositions and Methods of Use NICOX S.A. (IT) 2011-04-28 US disclosed
US-7883714-B2 (2R)-2,3-bis(nitrooxy)propyl(2S)-2(6-methoxy(2-naphthyl)propanoate, used for treating inflammation, pain and fever; gastrointestinal disorders; wound healing agents; preventing gastrointestinal, renal and/or respiratory toxicities; side effect reduction; kits NICOX S.A. (FR) 2011-02-08 US disclosed
US-7754772-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX, S.A. (FR) 2010-07-13 US disclosed
US-20100137291-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NICOX SA (FR) 2010-06-03 US disclosed
US-20100093708-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NICOX SA (FR) 2010-04-15 US disclosed
US-20050222243-A1 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NITROMED, INC. (US) 2005-10-06 US disclosed
EP-1539729-A2 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2005-06-15 EP disclosed
US-20040024057-A1 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use related applications NITROMED, INC. 2004-02-05 US disclosed
WO-2004004648-A2 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2004-01-15 WO disclosed
EP-0388778-B1 Preparation of dioxolane derivatives HOFFMANN LA ROCHE (CH) 1996-01-10 EP disclosed
US-5283346-A Chemical intermediate for vitamin e HOFFMANN-LA ROCHE INC. (US) 1994-02-01 US disclosed
US-5232852-A Enzymatic hydrolysis utilizing a lipase HOFFMANN-LA ROCHE INC. (US) 1993-08-03 US disclosed
EP-0388778-A2 Preparation of dioxolane derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-09-26 EP disclosed
EP-0302599-A2 Bicyclo-octane and bicyclo-nonane derivatives, processes for their preparation and their use as herbicides HER MAJESTY THE QUEEN IN RIGHT OF NEW ZEALAND, DEPARTMENT OF SCIENTIFIC AND INDUSTRIAL RESEARCH, CHEMISTRY DIVISON (NZ) 1989-02-08 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 (5 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-20100093708-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS2, NOS1, NOS3 EPHX1 87/4885CHRM2 2713/4885CHRM1 2469/4885
US-20110098253-A1 Nitrosated Nonsteroidal Antiinflammatory Compounds, Compositions and Methods of Use NOS2, NOS1, NOS3 EPHX1 128/4885CHRM2 2405/4885CHRM1 2330/4885
US-20040024057-A1 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use related applications NOS2, NOS1, NOS3 EPHX1 94/4885CHRM2 2459/4885CHRM1 2240/4885
US-20100137291-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS2, NOS1, NOS3 EPHX1 87/4885CHRM2 2713/4885CHRM1 2469/4885
US-20050222243-A1 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NOS2, NOS1, NOS3 EPHX1 87/4885CHRM2 2713/4885CHRM1 2469/4885

“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.