SCHEMBL69828

SCHEMBL69828

C=CC(=O)OCCOC1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.43
ALDH1A1 P00352 4/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.40
CYP3A4 P08684 2/20 0.40
THRB P10828 2/20 0.38
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL14885821 0.82 TSHR (0.38) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL68608 0.82 TSHR (0.43) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL69433 0.82 TSHR (0.37) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8389037 0.81 TSHR (0.41) TSHRHPGD
SCHEMBL15879988 0.81 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9008779 0.79 THRB (0.42) TSHRALDH1A1THRB
SCHEMBL15893237 0.79 TSHR (0.41) TSHRALDH1A1TP53CYP3A4THRB
SCHEMBL25701853 0.79 TSHR (0.39) TSHR
SCHEMBL69450 0.79 TSHR (0.35) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11152233 0.79 NPC1 (0.30)

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-2070998-B1 Inkjet recording ink composition and inkjet recording method FUJIFILM CORP (JP) 2015-04-08 EP disclosed
US-20140203226-A1 (METH)ACRYLATE COMPOUND AND PHOTOCHROMIC CURABLE COMPOSITION CONTAINING THE (METH)ACRYLATE COMPOUND TOKUYAMA CORPORATION (JP) 2014-07-24 US disclosed
EP-2085439-B1 Photocurable composition, photocurable ink composition, process for producing photocured material, and inkjet recording method FUJIFILM CORP (JP) 2013-10-02 EP 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
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
EP-1927477-B1 Ink composition for inkjet-recording and method for inkjet-recording FUJIFILM CORP (JP) 2009-03-18 EP 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 (1 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-20140203226-A1 (METH)ACRYLATE COMPOUND AND PHOTOCHROMIC CURABLE COMPOSITION CONTAINING THE (METH)ACRYLATE COMPOUND TET1, MGMT, CRYAA TSHR 807/4885ALDH1A1 303/4885TP53 2726/4885

“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.