SCHEMBL1688820

SCHEMBL1688820

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
DGAT1 O75907 1/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRNB2 P17787 1/20 0.33
TBXA2R P21731 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33

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
SCHEMBL28024819 0.98 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10GAASMN1; SMN2
SCHEMBL16812082 0.96 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10GAASMN1; SMN2
SCHEMBL3822855 0.87 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10GAASMN1; SMN2
SCHEMBL28431642 0.84 ALDH1A1 (0.32) ALDH1A1LMNAHSD17B10GAASMN1; SMN2
SCHEMBL6935674 0.83 ALDH1A1 (0.38) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL13742326 0.82 GAA (0.40) ALDH1A1LMNAHSD17B10GAASMN1; SMN2
SCHEMBL12332050 0.82 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10GAASMN1; SMN2
SCHEMBL6935677 0.81 KMT2A (0.34) LMNAGAAMEN1KMT2AL3MBTL1
SCHEMBL12905043 0.81 GAA (0.44) GAAMEN1KMT2AL3MBTL1DGAT1
SCHEMBL12332048 0.80 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10GAASMN1; SMN2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230141981-A1 NOVEL COMPOUNDS AND COMPOSITION FOR TARGETED THERAPY OF KIDNEY-ASSOCIATED CANCERS Shanghai MICURX Pharmaceuticals Co., Ltd. (CN) 2023-05-11 US disclosed
EP-3077460-B1 SILICONE COMPOSITION THAT CAN BE CURED IN THE PRESENCE OF WATER OR ATMOSPHERIC MOISTURE BLUESTAR SILICONES FRANCE (FR) 2018-09-05 EP disclosed
EP-3077464-B1 ARTICLE HAVING ANTIFOULING PROPERTIES, USED IN AQUATIC APPLICATIONS , IN PARTICULAR IN MARINE APPLICATIONS BLUESTAR SILICONES FRANCE (FR) 2018-01-31 EP disclosed
EP-3077464-A1 ITEM HAVING ANTI-SOILING PROPERTIES AND INTENDED FOR AQUATIC AND PARTICULARLY OCEAN USE Bluestar Silicones France SAS (FR) 2016-10-12 EP disclosed
EP-3077460-A1 SILICONE COMPOSITION THAT CAN BE CURED IN THE PRESENCE OF WATER OR ATMOSPHERIC MOISTURE Bluestar Silicones France SAS (FR) 2016-10-12 EP disclosed
WO-2015082837-A1 SILICONE COMPOSITION THAT CAN BE CURED IN THE PRESENCE OF WATER OR ATMOSPHERIC MOISTURE BLUESTAR SILICONES FRANCE SAS (FR) 2015-06-11 WO disclosed
WO-2015082780-A1 ITEM HAVING ANTI-SOILING PROPERTIES AND INTENDED FOR AQUATIC AND PARTICULARLY OCEAN USE BLUESTAR SILICONES FRANCE SAS (FR) 2015-06-11 WO disclosed
US-8901353-B2 Polyimide precursor, polyimide, and liquid crystal aligning agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-12-02 US disclosed
US-20120088888-A1 POLYIMIDE PRECURSOR, POLYIMIDE, AND LIQUID CRYSTAL ALIGNING AGENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-04-12 US disclosed
EP-2229395-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-09-22 EP disclosed
WO-2009090054-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-07-23 WO disclosed
US-20070254247-A1 Radiation-sensitive resin composition YAMAMOTO MASAFUMI 2007-11-01 US disclosed
EP-0548774-B1 Process for producing a lactone or an ester SUMITOMO CHEMICAL CO (JP) 2000-03-15 EP disclosed
US-5405974-A Reacting a ketone, oxygen, an aromatic aldehyde using an aromatic solvent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-04-11 US disclosed
EP-0548774-A1 Process for producing a lactone or an ester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-30 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 (2 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-20120088888-A1 POLYIMIDE PRECURSOR, POLYIMIDE, AND LIQUID CRYSTAL ALIGNING AGENT PUF60, F13A1, F12 ALDH1A1 4072/4885LMNA 329/4885HSD17B10 3992/4885
US-20230141981-A1 NOVEL COMPOUNDS AND COMPOSITION FOR TARGETED THERAPY OF KIDNEY-ASSOCIATED CANCERS GLS, ATP6V1B1, KRAS ALDH1A1 1860/4885LMNA 2665/4885HSD17B10 2705/4885

“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.