SCHEMBL1924410

SCHEMBL1924410

CCC(C)OC(CC(C(C)=O)C(=O)O)OC(C)CC.[AlH3]

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL2526240 0.82 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1419109 0.82
SCHEMBL992245 0.80 ALDH1A1 (0.32) CHRM1AKR1A1CHRM3HTR2AHTR2C
Acetic Acid SCHEMBL20657787 0.73 FFAR3 (0.39) CHRM1TDP1ALDH1A1
SCHEMBL487333 0.70 TDP1 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL487120 0.70 TDP1 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1262653 0.70 TDP1 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9586717 0.70 RNPEP (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1952253 0.69
SCHEMBL249763 0.69 MAPT (0.35) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112654661-A Curable silicone composition and light diffusing material formed therefrom 美国陶氏有机硅公司 2021-04-13 CN disclosed
EP-1504051-B1 ORGANO-FUNCTIONAL POLYSILOXANES SIGMAKALON SERVICES B V (NL) 2011-06-08 EP disclosed
EP-1608694-B1 PROCESS FOR THE PREPARATION OF HIGH SOLIDS URETHANE ALKYDS PPG BV (NL) 2008-11-05 EP disclosed
US-20060252953-A1 Process for the production of silyl carboxylate monomers SIGMA COATINGS B.V. (NL) 2006-11-09 US disclosed
US-7118621-B2 Organo-functional polysiloxanes SIGMAKALON SERVICES B.V. (NL) 2006-10-10 US disclosed
EP-0990660-B1 PROCESS FOR PREPARING CYCLIC OLIGOSILOXANES KANEKA CORP (JP) 2006-04-26 EP disclosed
EP-1608694-A1 PROCESS FOR THE PREPARATION OF HIGH SOLIDS URETHANE ALKYDS SigmaKalon B.V. (NL) 2005-12-28 EP disclosed
US-20050222446-A1 Process for the production of hydrocarbyl silyl carboxylate compounds SIGMA COATINGS B.V. (NL) 2005-10-06 US disclosed
US-20050202257-A1 Organo-functional polysiloxanes SIGMAKALON SERVICES B.V. (NL) 2005-09-15 US disclosed
EP-1572701-A1 PROCESS FOR THE PRODUCTION OF HYDROCARBYL SILYL CARBOXYLATE COMPOUNDS SIGMA COATINGS B.V. (NL) 2005-09-14 EP disclosed
EP-1501884-A1 AMINO-FUNCTIONAL POLYSILOXANES AND THEIR USE IN COATINGS SigmaKalon Services B.V. (NL) 2005-02-02 EP disclosed
WO-2004101639-A1 PROCESS FOR THE PREPARATION OF HIGH SOLIDS URETHANE ALKYDS SIGMAKALON B.V. (NL) 2004-11-25 WO disclosed
WO-2004056837-A1 PROCESS FOR THE PRODUCTION OF HYDROCARBYL SILYL CARBOXYLATE COMPOUNDS SIGMA COATINGS B.V. (NL) 2004-07-08 WO disclosed
EP-1431301-A1 Process for the production of silyl carboxylate monomers SIGMA COATINGS B.V. (NL) 2004-06-23 EP disclosed
WO-2003093352-A1 AMINO-FUNCTIONAL POLYSILOXANES AND THEIR USE IN COATINGS SIGMAKALON SERVICES B.V. (NL) 2003-11-13 WO disclosed
WO-2003093350-A1 ORGANO-FUNCTIONAL POLYSILOXANES SIGMAKALON SERVICES B.V. (NL) 2003-11-13 WO disclosed
EP-1361245-A1 Amino-functional polysiloxanes SigmaKalon Group B.V. (NL) 2003-11-12 EP disclosed
EP-1359182-A1 Organo-functional polysiloxanes SigmaKalon Group B.V. (NL) 2003-11-05 EP disclosed
US-6262289-B1 HEATING IN PRESENCE OF METAL ALKOXIDE KANEKA CORPORATION (JP) 2001-07-17 US disclosed
EP-0990660-A1 PROCESS FOR PREPARING CYCLIC OLIGOSILOXANES Kaneka Corporation (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 (3 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-20060252953-A1 Process for the production of silyl carboxylate monomers ACSL1, SUCLA2, MSMO1 CHRM1 1171/4885AKR1A1 310/4885CHRM3 2300/4885
US-20050222446-A1 Process for the production of hydrocarbyl silyl carboxylate compounds FTO, SUCLG2, ALKBH3 CHRM1 1107/4885AKR1A1 685/4885CHRM3 1328/4885
US-20050202257-A1 Organo-functional polysiloxanes H1-3, HAO2, LPO CHRM1 141/4885AKR1A1 668/4885CHRM3 203/4885

“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.