SCHEMBL3883004

SCHEMBL3883004

CC(OC(=O)CC(=O)OC(C)c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.56
TSHR P16473 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
FFAR1 O14842 1/20 0.45
LPAR1 Q92633 3/20 0.45
OPRM1 P35372 3/20 0.45
APAF1 O14727 1/20 0.44
LPAR3 Q9UBY5 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL19277737 0.94 HCAR2 (0.51) HCAR2TSHRKMT2AKDM4EMAPT
SCHEMBL7309367 0.92 HCAR2 (0.53) HCAR2TSHRKMT2AKDM4EMAPT
SCHEMBL3320379 0.91 HCAR2 (0.51) HCAR2TSHRKMT2AKDM4EMAPT
SCHEMBL3320372 0.91 HCAR2 (0.51) HCAR2TSHRKMT2AKDM4EMAPT
SCHEMBL3320374 0.91 HCAR2 (0.51) HCAR2TSHRKMT2AKDM4EMAPT
SCHEMBL27843171 0.90 MMP8 (0.49) HCAR2TSHRKMT2AMAPTALDH1A1
SCHEMBL29222852 0.89 PTGS2 (0.53) HCAR2MAPTLPAR1ALDH1A1HPGD
SCHEMBL11461421 0.88 HCAR2 (0.56) HCAR2TSHRKMT2AKDM4EMAPT
SCHEMBL30688108 0.87 LTB4R (0.54) HCAR2TSHRKDM4EMAPTFFAR1
SCHEMBL9231000 0.86 HCAR2 (0.54) HCAR2TSHRKMT2AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010614-B1 DECOMPOSABLE VEHICLES IN PRINTING OR COATING COMPOSITIONS UNIV DENMARK TECH DTU (DK) 2013-08-14 EP disclosed
EP-2010614-B1 DECOMPOSABLE VEHICLES IN PRINTING OR COATING COMPOSITIONS UNIV DENMARK TECH DTU (DK) 2013-08-14 EP disclosed
US-20120315393-A1 USE OF DECOMPOSABLE VEHICLES OR SOLVENTS IN PRINTING OR COATING COMPOSITIONS THE TECHNICAL UNIVERSITY OF DENMARK (DK) 2012-12-13 US disclosed
US-20120315393-A1 USE OF DECOMPOSABLE VEHICLES OR SOLVENTS IN PRINTING OR COATING COMPOSITIONS THE TECHNICAL UNIVERSITY OF DENMARK (DK) 2012-12-13 US disclosed
US-20120315393-A1 USE OF DECOMPOSABLE VEHICLES OR SOLVENTS IN PRINTING OR COATING COMPOSITIONS THE TECHNICAL UNIVERSITY OF DENMARK (DK) 2012-12-13 US disclosed
US-8257786-B2 Decomposable vehicles in printing or coating compositions THE TECHNICAL UNIVERSITY OF DENMARK (DK) 2012-09-04 US disclosed
US-8257786-B2 Decomposable vehicles in printing or coating compositions THE TECHNICAL UNIVERSITY OF DENMARK (DK) 2012-09-04 US disclosed
US-8257786-B2 Decomposable vehicles in printing or coating compositions THE TECHNICAL UNIVERSITY OF DENMARK (DK) 2012-09-04 US disclosed
CN-101633619-B Method for purifying high-purity phenyl ethyl malonate JIANGSU SENXUAN PHARMACEUTICAL CO LTD 2012-06-20 CN disclosed
CN-101633619-A Method for purifying high-purity phenyl ethyl malonate JIANGSU SENXUAN PHARMACEUTICAL 2010-01-27 CN disclosed
US-20090280245-A1 DECOMPOSABLE VEHICLES IN PRINTING OR COATING COMPOSITIONS THE TECHNICAL UNIVERSITY OF DENMARK (DK) 2009-11-12 US disclosed
US-20090280245-A1 DECOMPOSABLE VEHICLES IN PRINTING OR COATING COMPOSITIONS THE TECHNICAL UNIVERSITY OF DENMARK (DK) 2009-11-12 US disclosed
US-20090280245-A1 DECOMPOSABLE VEHICLES IN PRINTING OR COATING COMPOSITIONS THE TECHNICAL UNIVERSITY OF DENMARK (DK) 2009-11-12 US disclosed
EP-2010614-A1 DECOMPOSABLE VEHICLES IN PRINTING OR COATING COMPOSITIONS The Technical University of Denmark (DK) 2009-01-07 EP disclosed
WO-2007118850-A1 DECOMPOSABLE VEHICLES IN PRINTING OR COATING COMPOSITIONS THE TECHNICAL UNIVERSITY OF DENMARK (DK) 2007-10-25 WO disclosed
WO-2007118850-A1 DECOMPOSABLE VEHICLES IN PRINTING OR COATING COMPOSITIONS THE TECHNICAL UNIVERSITY OF DENMARK (DK) 2007-10-25 WO disclosed
EP-0729936-B1 Process for the synthesis of alpha substituted acrylic acids and N-(mercaptoacyl)amino acids BIOPROJET SOC CIV (FR) 1999-07-07 EP disclosed
EP-0729936-A1 Process for the synthesis of alpha substituted acrylic acids and their application SOCIETE CIVILE BIOPROJET (FR) 1996-09-04 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-20120315393-A1 USE OF DECOMPOSABLE VEHICLES OR SOLVENTS IN PRINTING OR COATING COMPOSITIONS C9, ADH1C, ADH1A HCAR2 187/4885TSHR 4157/4885KMT2A 1672/4885
US-20090280245-A1 DECOMPOSABLE VEHICLES IN PRINTING OR COATING COMPOSITIONS ADH1C, ADH1A, MAL2 HCAR2 169/4885TSHR 4334/4885KMT2A 1329/4885

“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.