SCHEMBL1603687

SCHEMBL1603687

NC1C2CCC(CC2)C1O

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.39
FUCA1 P04066 1/20 0.30
PKM P14618 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
SCHEMBL8308075 0.81
SCHEMBL3482522 0.73 MEN1 (0.36)
SCHEMBL1710234 0.73
SCHEMBL1721586 0.73
SCHEMBL3212601 0.65 CYP2C9 (0.38) GBA1FUCA1
SCHEMBL3212609 0.65 CYP2C9 (0.38) GBA1FUCA1
SCHEMBL25973633 0.65
SCHEMBL20608640 0.65
SCHEMBL21049142 0.65
SCHEMBL5070790 0.65 ALDH1A1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3851483-A1 PLASTICIZER BLENDS OF KETAL COMPOUNDS GFBiochemicals IP Assets B.V. (NL) 2021-07-21 EP disclosed
EP-3476889-B1 PLASTICIZER BLENDS OF KETAL COMPOUNDS GFBIOCHEMICALS IP ASSETS B V (NL) 2021-03-03 EP disclosed
US-20190352487-A1 PLASTICIZER BLENDS OF KETAL COMPOUNDS SEGETIS, INC 2019-11-21 US disclosed
US-10370518-B2 Plasticizer blends of ketal compounds GFBIOCHEMICALS IP ASSETS B.V. (NL) 2019-08-06 US disclosed
EP-3476889-A1 PLASTICIZER BLENDS OF KETAL COMPOUNDS GFBiochemicals IP Assets B.V. (NL) 2019-05-01 EP disclosed
EP-3099737-B1 PLASTICIZER BLENDS OF KETAL COMPOUNDS GFBIOCHEMICALS IP ASSETS B V (NL) 2018-11-28 EP disclosed
US-20170101520-A1 PLASTICIZER BLENDS OF KETAL COMPOUNDS SEGETIS, INC 2017-04-13 US disclosed
US-9550884-B2 Plasticizer blends of ketal compounds GFBIOCHEMICALS LIMITED (MT) 2017-01-24 US disclosed
EP-3099737-A1 PLASTICIZER BLENDS OF KETAL COMPOUNDS GFBiochemicals Limited (MT) 2016-12-07 EP disclosed
EP-2382199-B1 KETAL AMIDE COMPOUNDS, METHODS OF MAKING, AND APPLICATIONS GFBIOCHEMICALS LTD (MT) 2016-11-16 EP disclosed
US-20120136070-A1 KETAL ESTERS OF ANHYDROPENTITOLS AND USES THEREOF XL TERRA, INC. (US) 2012-05-31 US disclosed
US-20120122745-A1 KETAL COMPOUNDS AND USES THEREOF SEGETIS, INC. (US) 2012-05-17 US disclosed
EP-2445894-A1 KETAL COMPOUNDS AND USES THEREOF Segetis, Inc. (US) 2012-05-02 EP disclosed
EP-2382199-A1 KETAL AMIDE COMPOUNDS, METHODS OF MAKING, AND APPLICATIONS Segetis, Inc. (US) 2011-11-02 EP disclosed
US-20110082264-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS SEGETIS, INC. (US) 2011-04-07 US disclosed
WO-2010151558-A1 KETAL COMPOUNDS AND USES THEREOF SEGETIS, INC. (US) 2010-12-29 WO disclosed
WO-2010138842-A1 KETAL ESTERS OF ANHYDROPENTITOLS AND USES THEREOF XLTERRA, INC. (US) 2010-12-02 WO disclosed
WO-2010075330-A1 KETAL AMIDE COMPOUNDS, METHODS OF MAKING, AND APPLICATIONS SEGETIS, INC. (US) 2010-07-01 WO disclosed
WO-2009146202-A2 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS SEGETIS, INC. (US) 2009-12-03 WO disclosed
US-3742055-A 3-AMINO-BICYCLO{8 2.2.2{9 OCTAN-2-OLS COLGATE PALMOLIVE CO 1973-06-26 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-20120136070-A1 KETAL ESTERS OF ANHYDROPENTITOLS AND USES THEREOF KHK, HKDC1, HK2 GBA1 1817/4885FUCA1 2377/4885PKM 13/4885
US-20110082264-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS TKT, KHK, KYAT3 GBA1 1265/4885FUCA1 3499/4885PKM 11/4885
US-20120122745-A1 KETAL COMPOUNDS AND USES THEREOF KARS1, PKLR, KYAT1 GBA1 2148/4885FUCA1 3045/4885PKM 6/4885

“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.