SCHEMBL2961008

SCHEMBL2961008

CC(C)C(O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
SLC22A2 O15244 1/20 0.52
SLC47A1 Q96FL8 1/20 0.52
MAPT P10636 1/20 0.50
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
EPHX2 P34913 5/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.36
DPP4 P27487 1/20 0.36
EPHX1 P07099 1/20 0.35

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
SCHEMBL19758138 1.00 SMN1; SMN2 (0.53) SMN1; SMN2SLC22A2SLC47A1MAPTNPC1
SCHEMBL20042206 1.00 SMN1; SMN2 (0.53) SMN1; SMN2SLC22A2SLC47A1MAPTNPC1
SCHEMBL20042203 0.90 SMN1; SMN2 (0.42) SMN1; SMN2SLC22A2SLC47A1MAPTNPC1
SCHEMBL20042211 0.90 SMN1; SMN2 (0.42) SMN1; SMN2SLC22A2SLC47A1MAPTNPC1
SCHEMBL20042205 0.90 SMN1; SMN2 (0.42) SMN1; SMN2SLC22A2SLC47A1MAPTNPC1
SCHEMBL11634453 0.81 SLC22A2 (0.60) SMN1; SMN2SLC22A2SLC47A1MAPTNPC1
SCHEMBL182779 0.79 SLC22A2 (0.56) SMN1; SMN2SLC22A2SLC47A1MAPTNPC1
SCHEMBL7454830 0.79 DPP4 (0.43) SMN1; SMN2SLC22A2SLC47A1MAPTGRIN2D
SCHEMBL20042215 0.76 SMN1; SMN2 (0.34) SMN1; SMN2SLC22A2SLC47A1MAPT
SCHEMBL20042213 0.76 SMN1; SMN2 (0.34) SMN1; SMN2SLC22A2SLC47A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
EP-1238704-B1 Catalyst comprising a cyclic imide compound and process for producing organic compounds using the catalyst DAICEL CHEM (JP) 2015-01-21 EP disclosed
EP-1433527-B1 CATALYSTS COMPRISED OF N-SUBSTITUTED CYCLIC IMIDES AND PROCESSES FOR PREPARING ORGANIC COMPOUNDS WITH THE CATALYSTS DAICEL CHEM (JP) 2013-11-06 EP disclosed
US-7759515-B2 Catalyst comprising N-substituted cyclic imide compound and process for producing organic compounds using the catalyst DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-07-20 US disclosed
US-7741514-B2 Catalyst comprising N-substituted cyclic imide compound and process for producing organic compound using the catalyst DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-22 US disclosed
US-7368615-B2 Catalyst comprising a cyclic imide compound and process for producing organic compounds using the catalyst DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2008-05-06 US disclosed
EP-1055654-B1 PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH IMIDE CATALYSTS DAICEL CHEM (JP) 2008-02-20 EP disclosed
US-7288649-B2 Catalyst comprising cyclic acylurea compound and process for producing organic compounds using the catalyst DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-10-30 US disclosed
US-7183423-B1 Process for the preparation of organic compounds with imide catalysts DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-02-27 US disclosed
US-20060281629-A1 Catalyst comprising N-substituted cyclic imide compound and process for producing organic compound using the catalyst ISHII YASUTAKA 2006-12-14 US disclosed
EP-1433527-A1 CATALYSTS COMPRISED OF N-SUBSTITUTED CYCLIC IMIDES AND PROCESSES FOR PREPARING ORGANIC COMPOUNDS WITH THE CATALYSTS Daicel Chemical Industries, Ltd. (JP) 2004-06-30 EP disclosed
US-20040053778-A1 Catalyst comprised of n-substituted cyclic imides and processes for preparing organic compounds with the catalyst DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-18 US disclosed
EP-1338336-A1 CATALYSTS COMPRISING N-SUBSTITUTED CYCLIC IMIDES AND PROCESSES FOR PREPARING ORGANIC COMPOUNDS WITH THE CATALYSTS Daicel Chemical Industries, Ltd. (JP) 2003-08-27 EP disclosed
US-20030013603-A1 Catalyst comprising n-substituted cylic imides and processes for preparing organic compounds with the catalyst DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-16 US disclosed
US-20020128149-A1 Catalyst comprising a cyclic imide compound and process for producing organic compounds using the catalyst DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-09-12 US disclosed
EP-1238704-A2 Catalyst comprising a cyclic imide compound and process for producing organic compounds using the catalyst Daicel Chemical Industries, Ltd. (JP) 2002-09-11 EP disclosed
US-20020016516-A1 Hydrocarbon bonded to a carbon atom which is bonded to a hydroxyl group, a methane group, and an adamantane ring; or its protected derivatives; alcohol intermediates for acrylic ester monomers for hydrophilic, adhesive photoresists DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-07 US disclosed
US-6344590-B1 HYDROCARBON BONDED TO A CARBON ATOM WHICH IS BONDED TO A HYDROXYL GROUP, A METHANE GROUP, AND AN ADAMANTANE RING; OR ITS PROTECTED DERIVATIVES; ALCOHOL INTERMEDIATES FOR ACRYLIC ESTER MONOMERS FOR HYDROPHILIC, ADHESIVE PHOTORESISTS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-05 US disclosed
EP-1055654-A1 PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH IMIDE CATALYSTS Daicel Chemical Industries, Ltd. (JP) 2000-11-29 EP disclosed
EP-0990632-A1 ADAMANTANEMETHANOL DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Daicel Chemical Industries, Ltd. (JP) 2000-04-05 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-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR IDO1, TDO2, IDO2 SMN1; SMN2 2220/4885SLC22A2 1286/4885SLC47A1 331/4885
US-20020016516-A1 Hydrocarbon bonded to a carbon atom which is bonded to a hydroxyl group, a methane group, and an adamantane ring; or its protected derivatives; alcohol intermediates for acrylic ester monomers for hydrophilic, adhesive photoresists ADH1A, ADGRF1, ADGRE5 SMN1; SMN2 3876/4885SLC22A2 4342/4885SLC47A1 2388/4885
US-20060281629-A1 Catalyst comprising N-substituted cyclic imide compound and process for producing organic compound using the catalyst NOS2, NOS1, NOS3 SMN1; SMN2 2053/4885SLC22A2 530/4885SLC47A1 4608/4885
US-20020128149-A1 Catalyst comprising a cyclic imide compound and process for producing organic compounds using the catalyst NOX4, POR, NOX1 SMN1; SMN2 2293/4885SLC22A2 1180/4885SLC47A1 4665/4885

“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.