SCHEMBL2959558

SCHEMBL2959558

CC(O)[C@H]1CCCC2CCCCC21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TRPA1 O75762 2/20 0.30
TRPM8 Q7Z2W7 2/20 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
SCHEMBL5357555 1.00 GBA1 (0.33) GBA1CA1CA2CA4CYP1A2
SCHEMBL11918168 0.95 GBA1 (0.33) GBA1CA1CA2CA4ALDH1A1
SCHEMBL14409929 0.91 CTDSP1 (0.32) TRPA1TRPM8
SCHEMBL2761025 0.91 ALDH1A1 (0.30) ALDH1A1TRPA1TRPM8
SCHEMBL2957042 0.88
SCHEMBL24943476 0.85 GBA1 (0.38) GBA1TRPA1TRPM8
SCHEMBL2989442 0.81 ALDH1A1 (0.33) CYP1A2CYP2D6ALDH1A1
SCHEMBL3360230 0.81 TRPA1 (0.37) CYP1A2CYP2D6ALDH1A1TRPA1TRPM8
SCHEMBL17022420 0.81 ALDH1A1 (0.33) CYP1A2CYP2D6ALDH1A1
SCHEMBL2999568 0.81 ALDH1A1 (0.33) CYP1A2CYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113286776-A Bicyclic and tricyclic compounds useful as fragrance chemicals 巴斯夫欧洲公司 2021-08-20 CN 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
US-20060030716-A1 Catalyst comprising cyclic acylurea compound and process for producing organic compounds using the catalyst ISHII YASUTAKA 2006-02-09 US disclosed
US-20050020439-A1 Catalyst comprising cyclic acylurea compounds and processes for production organic compounds with the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2005-01-27 US disclosed
EP-1459804-A1 CATALYSTS COMPRISING CYCLIC ACYLUREA COMPOUNDS AND PROCESSES FOR PRODUCTION OF ORGANIC COMPOUNDS WITH THE SAME Daicel Chemical Industries, Ltd. (JP) 2004-09-22 EP 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
EP-1055654-A1 PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH IMIDE CATALYSTS Daicel Chemical Industries, Ltd. (JP) 2000-11-29 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-20060281629-A1 Catalyst comprising N-substituted cyclic imide compound and process for producing organic compound using the catalyst NOS2, NOS1, NOS3 GBA1 1849/4885CA1 28/4885CA2 6/4885
US-20020128149-A1 Catalyst comprising a cyclic imide compound and process for producing organic compounds using the catalyst NOX4, POR, NOX1 GBA1 3845/4885CA1 416/4885CA2 633/4885
US-20060030716-A1 Catalyst comprising cyclic acylurea compound and process for producing organic compounds using the catalyst MOGAT2, HAT1, ACOX1 GBA1 153/4885CA1 816/4885CA2 375/4885
US-20050020439-A1 Catalyst comprising cyclic acylurea compounds and processes for production organic compounds with the same MOGAT2, ACSS2, ACOX1 GBA1 208/4885CA1 789/4885CA2 321/4885

“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.