SCHEMBL69433

SCHEMBL69433

C=CC(=O)OCCC(=O)OC1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 3/20 0.37
TP53 P04637 3/20 0.37
HIF1A Q16665 2/20 0.37
CYP3A4 P08684 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
THRB P10828 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL14885821 0.92 TSHR (0.38) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL15893236 0.90 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL69828 0.82 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL69507 0.81 TSHR (0.33) TSHRALDH1A1HSD17B10GAAKMT2A
Suxemerid SCHEMBL2779070 0.81 SMN1; SMN2 (0.39) TSHRALDH1A1TP53HSD17B10MEN1
SCHEMBL69450 0.81 TSHR (0.35) TSHRHPGDALDH1A1TP53HIF1A
Ethylene SCHEMBL11193217 0.79 TSHR (0.33) TSHRALDH1A1HSD17B10GAAKMT2A
SCHEMBL15893238 0.79 TSHR (0.35) TSHR
SCHEMBL8849439 0.78 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL15893239 0.78 TSHR (0.35) TSHRHPGDALDH1A1TP53HIF1A

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
US-20160122643-A1 METHOD OF INHIBITING POLYMERIZATION AND FOULING IN ACRYLIC ACID AND ACRYLATE PROCESSES ARKEMA INC. (US) 2016-05-05 US disclosed
EP-2070998-B1 Inkjet recording ink composition and inkjet recording method FUJIFILM CORP (JP) 2015-04-08 EP disclosed
US-20130178652-A1 METHOD OF INHIBITING POLYMERIZATION AND FOULING IN ACRYLIC ACID AND ACRYLATE PROCESSES ARKEMA INC. (US) 2013-07-11 US disclosed
US-8128843-B2 Photocurable composition, photocurable ink composition, process for producing photocured material, and inkjet recording method FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-8128843-B2 Photocurable composition, photocurable ink composition, process for producing photocured material, and inkjet recording method FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-8092869-B2 Ink composition for ink jet recording and method for ink jet recording FUJIFILM CORPORATION (JP) 2012-01-10 US disclosed
US-8092869-B2 Ink composition for ink jet recording and method for ink jet recording FUJIFILM CORPORATION (JP) 2012-01-10 US disclosed
US-20110160484-A1 Method of Inhibiting Polymerization and Fouling in Acrylic Acid and Acrylate Processes ARKEMA INC. 2011-06-30 US disclosed
EP-2085439-A1 Photocurable composition, photocurable ink composition, process for producing photocured material, and inkjet recording method FUJIFILM Corporation (JP) 2009-08-05 EP disclosed
US-20090186163-A1 PHOTOCURABLE COMPOSITION, PHOTOCURABLE INK COMPOSITION, PROCESS FOR PRODUCING PHOTOCURED MATERIAL, AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2009-07-23 US disclosed
US-20090186163-A1 PHOTOCURABLE COMPOSITION, PHOTOCURABLE INK COMPOSITION, PROCESS FOR PRODUCING PHOTOCURED MATERIAL, AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2009-07-23 US disclosed
US-20090155484-A1 Inkjet recording ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2009-06-18 US disclosed
US-20090155484-A1 Inkjet recording ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2009-06-18 US disclosed
US-20090074982-A1 INK COMPOSITION FOR INK JET RECORDING AND METHOD FOR INK JET RECORDING FUJIFILM CORPORATION (JP) 2009-03-19 US disclosed
US-20090074982-A1 INK COMPOSITION FOR INK JET RECORDING AND METHOD FOR INK JET RECORDING FUJIFILM CORPORATION (JP) 2009-03-19 US disclosed
US-20080131618-A1 INK COMPOSITION FOR INKJET-RECORDING AND METHOD FOR INKJET-RECORDING FUJIFILM CORPORATION (JP) 2008-06-05 US disclosed
US-20080131618-A1 INK COMPOSITION FOR INKJET-RECORDING AND METHOD FOR INKJET-RECORDING FUJIFILM CORPORATION (JP) 2008-06-05 US disclosed
EP-1927477-A1 Ink composition for inkjet-recording and method for inkjet-recording FUJIFILM Corporation (JP) 2008-06-04 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-20130178652-A1 METHOD OF INHIBITING POLYMERIZATION AND FOULING IN ACRYLIC ACID AND ACRYLATE PROCESSES AOC2, HAO2, AOC3 TSHR 4193/4885HPGD 325/4885ALDH1A1 221/4885
US-20110160484-A1 Method of Inhibiting Polymerization and Fouling in Acrylic Acid and Acrylate Processes HAO2, AOC2, HACL2 TSHR 4006/4885HPGD 452/4885ALDH1A1 200/4885

“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.