SCHEMBL2963340

SCHEMBL2963340

CC(=O)OC(C)(C)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.46
CHRM1 P11229 1/20 0.46
TBXA2R P21731 1/20 0.46
ADRA1A P35348 1/20 0.46
GAA P10253 1/20 0.44
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 2/20 0.44
TSHR P16473 2/20 0.44
CYP2D6 P10635 1/20 0.44
KDM4E B2RXH2 1/20 0.39
FFAR1 O14842 1/20 0.39
CPT2 P23786 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.31
SLC15A2 Q16348 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FFAR3 O14843 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
SCHEMBL15604413 0.82 GAA (0.46) HMGCRCHRM1TBXA2RADRA1AGAA
SCHEMBL25946692 0.79 HMGCR (0.41) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL20629674 0.78 ALDH1A1 (0.39) HMGCRCHRM1TBXA2RADRA1AGAA
SCHEMBL11523073 0.77 GAA (0.46) HMGCRCHRM1TBXA2RADRA1AGAA
SCHEMBL27944153 0.77 HMGCR (0.42) HMGCRCHRM1TBXA2RADRA1AGAA
SCHEMBL5323393 0.76 HMGCR (0.42) HMGCRCHRM1TBXA2RADRA1AGAA
SCHEMBL29034716 0.76 HMGCR (0.42) HMGCRCHRM1TBXA2RADRA1AGAA
T-Butylacetic Acid SCHEMBL15106943 0.76 HMGCR (0.42) HMGCRCHRM1TBXA2RADRA1AGAA
SCHEMBL5730591 0.76 GAA (0.38) HMGCRCHRM1TBXA2RADRA1AGAA
SCHEMBL9138775 0.76 GAA (0.56) GAACYP2C19TSHRCYP2D6ALDH1A1

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
EP-0133673-B1 MEDICAMENTS CONTAINING VALEPOTRIATHYDRINES Kali-Chemie Pharma GmbH (DE) 1987-06-24 EP claimed
WO-2021095202-A1 THERMOSETTING RESIN COMPOSITION, CURED FILM, METHOD FOR FORMING MULTILAYER COATING FILM, ESTER COMPOUND, AND POLYMER 共栄社化学株式会社 2021-05-20 WO disclosed
US-10751291-B2 Nanoparticulate compositions comprising interferon gamma and losartan for immunotherapy YALE UNIVERSITY (US) 2020-08-25 US disclosed
US-20180200196-A1 Modular Particulars for Immunotherapy IMMUNOVA LLC 2018-07-19 US disclosed
US-9884026-B2 Modular particles for immunotherapy YALE UNIVERSITY (US) 2018-02-06 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
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-0133673-B1 MEDICAMENTS CONTAINING VALEPOTRIATHYDRINES Kali-Chemie Pharma GmbH (DE) 1987-06-24 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 (5 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-20180200196-A1 Modular Particulars for Immunotherapy CD47, ICOS, LY96 HMGCR 1224/4885CHRM1 4182/4885TBXA2R 2247/4885
US-10751291-B2 Nanoparticulate compositions comprising interferon gamma and losartan for immunotherapy IFNG, IL2, IFNAR1 HMGCR 1647/4885CHRM1 3216/4885TBXA2R 1139/4885
US-20020128149-A1 Catalyst comprising a cyclic imide compound and process for producing organic compounds using the catalyst NOX4, POR, NOX1 HMGCR 2104/4885CHRM1 1680/4885TBXA2R 2713/4885
US-20060030716-A1 Catalyst comprising cyclic acylurea compound and process for producing organic compounds using the catalyst MOGAT2, HAT1, ACOX1 HMGCR 537/4885CHRM1 3154/4885TBXA2R 1086/4885
US-20050020439-A1 Catalyst comprising cyclic acylurea compounds and processes for production organic compounds with the same MOGAT2, ACSS2, ACOX1 HMGCR 619/4885CHRM1 3161/4885TBXA2R 1061/4885

“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.