SCHEMBL2760784

SCHEMBL2760784

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.37
THRB P10828 1/20 0.37
GRM1 Q13255 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
SLC22A2 O15244 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
SCHEMBL15746432 0.87 GRIN2D (0.52) ALDH1A1PKML3MBTL1TSHRNPC1
SCHEMBL7737331 0.80 GRIN2D (0.48) ALDH1A1TSHRNPC1GRIN2DGRIN3B
SCHEMBL19420116 0.79 ALDH1A1 (0.64) ALDH1A1PKML3MBTL1TSHRNPC1
SCHEMBL7706555 0.79 ALDH1A1 (0.39) ALDH1A1TSHRNPC1GRIN2DGRIN3B
SCHEMBL14493665 0.78 L3MBTL1 (0.58) ALDH1A1PKML3MBTL1GAAKMT2A
SCHEMBL13589980 0.78 L3MBTL1 (0.58) ALDH1A1PKML3MBTL1GAAKMT2A
SCHEMBL164232 0.78 L3MBTL1 (0.58) ALDH1A1PKML3MBTL1GAAKMT2A
Hydrochloric Acid SCHEMBL4712251 0.76 L3MBTL1 (0.61) ALDH1A1PKML3MBTL1GAAKMT2A
SCHEMBL5486305 0.76 L3MBTL1 (0.56) ALDH1A1PKML3MBTL1GAAKMT2A
Hydrochloric Acid SCHEMBL4712253 0.76 L3MBTL1 (0.61) ALDH1A1PKML3MBTL1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253575-A1 SOLID ACID CATALYST AND METHOD FOR PRODUCING OXIDE DAICEL CORPORATION (JP) 2017-09-07 US disclosed
US-9447013-B2 Method for producing oxide DAICEL CORPORATION (JP) 2016-09-20 US disclosed
US-20160159722-A1 METHOD FOR PRODUCING OXIDE DAICEL CORPORATION (JP) 2016-06-09 US disclosed
EP-3023407-A1 METHOD FOR PRODUCING OXIDE Daicel Corporation (JP) 2016-05-25 EP 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-2248792-B1 PROCESS FOR PRODUCTION OF OXYGEN-CONTAINING ORGANIC COMPOUND DAICEL CHEM (JP) 2013-11-27 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-8410308-B2 Process for production of oxygen-containing organic compound DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2013-04-02 US disclosed
US-20100331569-A1 PROCESS FOR PRODUCTION OF OXYGEN-CONTAINING ORGANIC COMPOUND DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-12-30 US disclosed
US-20100317869-A1 IMMOBILIZED CYCLIC IMIDE CATALYST AND PROCESS FOR OXIDATION OF ORGANIC COMPOUNDS WITH THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-12-16 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 (7 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-20100317869-A1 IMMOBILIZED CYCLIC IMIDE CATALYST AND PROCESS FOR OXIDATION OF ORGANIC COMPOUNDS WITH THE SAME AOC2, NOXO1, NOX1 ALDH1A1 511/4885PKM 2833/4885L3MBTL1 4076/4885
US-20160159722-A1 METHOD FOR PRODUCING OXIDE HAO2, NOXO1, NOX4 ALDH1A1 808/4885PKM 2041/4885L3MBTL1 4772/4885
US-20170253575-A1 SOLID ACID CATALYST AND METHOD FOR PRODUCING OXIDE HAO2, HAO1, SCO2 ALDH1A1 381/4885PKM 3568/4885L3MBTL1 4448/4885
US-20100331569-A1 PROCESS FOR PRODUCTION OF OXYGEN-CONTAINING ORGANIC COMPOUND HAO2, SCO2, CYC1 ALDH1A1 933/4885PKM 904/4885L3MBTL1 4531/4885
US-20020128149-A1 Catalyst comprising a cyclic imide compound and process for producing organic compounds using the catalyst NOX4, POR, NOX1 ALDH1A1 1339/4885PKM 896/4885L3MBTL1 4710/4885
US-20060030716-A1 Catalyst comprising cyclic acylurea compound and process for producing organic compounds using the catalyst MOGAT2, HAT1, ACOX1 ALDH1A1 261/4885PKM 3079/4885L3MBTL1 3863/4885
US-20050020439-A1 Catalyst comprising cyclic acylurea compounds and processes for production organic compounds with the same MOGAT2, ACSS2, ACOX1 ALDH1A1 258/4885PKM 3005/4885L3MBTL1 3670/4885

“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.