SCHEMBL1668773

SCHEMBL1668773

CC1(CO)COC(C)(CO)CO1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL627879 0.97
SCHEMBL5310995 0.97
SCHEMBL3810403 0.97
SCHEMBL17269701 0.85 EPHX1 (0.36) EPHX1
SCHEMBL16482373 0.85 EPHX1 (0.36) EPHX1
SCHEMBL3150097 0.80 EPHX1 (0.40) EPHX1
SCHEMBL220206 0.80 EPHX1 (0.40) EPHX1
SCHEMBL3150105 0.80 EPHX1 (0.40) EPHX1
SCHEMBL15627990 0.76 EPHX1 (0.37) EPHX1
SCHEMBL27209741 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110318292-A1 ENVIRONMENTALLY BENIGN PLASTICIZERS BASED ON DERIVATIVES OF ACETONE BOSTON POLYMER LLC (US) 2011-12-29 US claimed
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
US-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-22 US disclosed
US-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-22 US disclosed
US-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-22 US disclosed
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP disclosed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO disclosed
US-7659420-B2 Polymers made from chemically protected dihydroxyacetone monomers e.g., 2,2-dimethoxy-1,3-propanediol and/or dimers such as 2,5-dialkoxy-2,5-bis(hydroxymethyl)-1,4-dioxane; e.g. polycarbonates, polyspiroacetals, polyesters and polyurethanes; biodegradable with minimal toxicity; biomedical, consumer use CORNELL RESEARCH FOUNDATION, INC (US) 2010-02-09 US disclosed
US-20080194786-A1 Polymers made from chemically protected dihydroxyacetone monomers e.g., 2,2-dimethoxy-1,3-propanediol and/or dimers such as 2,5-dialkoxy-2,5-bis(hydroxymethyl)-1,4-dioxane; e.g. polycarbonates, polyspiroacetals, polyesters and polyurethanes; biodegradable with minimal toxicity; biomedical, consumer use CORNELL RESEARCH FOUNDATION, INC. (US) 2008-08-14 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-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM MYOF, FTH1, HCCS EPHX1 4617/4885KDM4E 4500/4885ALDH1A1 2127/4885
US-20110318292-A1 ENVIRONMENTALLY BENIGN PLASTICIZERS BASED ON DERIVATIVES OF ACETONE HAO2, HAO1, GNPAT EPHX1 499/4885KDM4E 4166/4885ALDH1A1 47/4885

“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.