SCHEMBL4152003

SCHEMBL4152003

C=CC(=O)OC(C)Oc1ccc(Cc2ccc(OC(C)OC(=O)C=C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.46
POLB P06746 1/20 0.41
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
ELANE P08246 1/20 0.39
ACACB O00763 1/20 0.38
LTA4H P09960 1/20 0.38
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
KDM4A O75164 1/20 0.36
MAPT P10636 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
TSHR P16473 1/20 0.36
FFAR1 O14842 1/20 0.35
ALDH1A3 P47895 1/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SRD5A2 P31213 1/20 0.34

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
SCHEMBL6008977 0.87 THRB (0.66) THRBPOLBPPARGPPARAACACB
SCHEMBL28697689 0.87 PPARG (0.43) THRBPOLBPPARGPPARAACACB
SCHEMBL10870942 0.85 THRB (0.50) THRBPOLBELANEMAPTTSHR
SCHEMBL13296348 0.85 CYP1A2 (0.45) THRBACACBMAPTTSHRALDH1A3
SCHEMBL11032805 0.84 THRB (0.62) THRBPPARATSHRKMT2AALDH1A1
SCHEMBL13368777 0.84 PARP10 (0.39) THRBPOLBACACBTSHRALDH1A3
SCHEMBL9771285 0.84 CA12 (0.41) THRBLTA4HTSHRALDH1A3KMT2A
SCHEMBL9488041 0.84 KMT2A (0.41) THRBPPARGPPARAMAPTTSHR
SCHEMBL2033727 0.83 CYP1A2 (0.46) THRBPOLBPPARGPPARAMAPT
SCHEMBL8844438 0.83 RAB9A (0.40) THRBPOLBACACBMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1627867-B1 (METH)ACRYLIC ESTER COMPOUND AND USE THEREOF MITSUI CHEMICALS INC (JP) 2016-01-20 EP disclosed
US-7534909-B2 (Meth) acrylic ester compound and use thereof MITSUI CHEMICALS, INC. (JP) 2009-05-19 US disclosed
EP-2030998-A1 Method of preparing a transparent moulded article with a thermoplastic polymer and thermosetting polymer alloy base Essilor International (Compagnie Générale D'Optique) (FR) 2009-03-04 EP disclosed
US-20090054547-A1 METHOD FOR THE PREPARATION OF A TRANSPARENT MOULDING BASED ON A BLEND OF THERMOPLASTIC POLYMER AND THERMOSETTING POLYMER ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2009-02-26 US disclosed
EP-1388540-B1 ACRYLIC ESTERS AND USE THEREOF MITSUI CHEMICALS INC (JP) 2007-09-05 EP disclosed
US-20070078198-A1 (Meth) acrylic ester compound and use thereof MITSUI CHEMICALS, INC. (JP) 2007-04-05 US disclosed
EP-1057808-B1 Sulfur-containing unsaturated carboxylate compound and its use MITSUI CHEMICALS INC (JP) 2007-03-14 EP disclosed
EP-1302471-B1 SULFUR COMPOUND AND USE THEREOF MITSUI CHEMICALS INC (JP) 2006-12-27 EP disclosed
EP-1627867-A1 (METH)ACRYLIC ESTER COMPOUND AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2006-02-22 EP disclosed
US-6835844-B2 Acrylic esters and use thereof MITSUI CHEMICALS, INC. (JP) 2004-12-28 US disclosed
US-6794471-B2 OF A HYDROXYHYDROCARBYL- OR MERCAPTOHYDROCARBYL- DITHIOLANE; CURED OPTICAL ARTICLE FORMED BY PHOTOPOLYMERIZING THE ACRYLATE MITSUI CHEMICALS, INC. (JP) 2004-09-21 US disclosed
US-20040102592-A1 Acrylic esters and use thereof MITSUI CHEMICALS, INC. (JP) 2004-05-27 US disclosed
EP-1193264-B1 Acrylic ester compound and usage thereof MITSUI CHEMICALS INC (JP) 2004-03-31 EP disclosed
EP-1388540-A1 ACRYLIC ESTERS AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2004-02-11 EP disclosed
US-6570025-B1 Photopolymerization MITSUI CHEMICALS, INC. (JP) 2003-05-27 US disclosed
EP-1302471-A1 SULFUR COMPOUND AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2003-04-16 EP disclosed
US-6458908-B1 A PROCESS FOR PREPARING A SULFUR-CONTAINING UNSATURATED CARBOXYLATE COMPOUND AS CLAIMED IN CLAIM 1 COMPRISING REACTING A SULFUR-CONTAINING DERIVATIVE FOR OPTICAL POLYMERS MITSUI CHEMICALS, INC. (JP) 2002-10-01 US disclosed
US-20020061995-A1 Acrylic ester compound and usage thereof MITSUI CHEMICALS, INC. (JP) 2002-05-23 US disclosed
EP-1193264-A1 Acrylic ester compound and usage thereof Mitsui Chemicals, Inc. (JP) 2002-04-03 EP disclosed
EP-1057808-A2 Sulfur-containing unsaturated carboxylate compound and its use Mitsui Chemicals, Inc. (JP) 2000-12-06 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-20020061995-A1 Acrylic ester compound and usage thereof ASS1, HAT1, EIF2B1 THRB 3115/4885POLB 3241/4885PPARG 2406/4885
US-20040102592-A1 Acrylic esters and use thereof RPS4Y1, EPB41, RPS4X THRB 3818/4885POLB 4436/4885PPARG 1915/4885
US-20070078198-A1 (Meth) acrylic ester compound and use thereof METTL14, PAM, TAS2R41 THRB 1009/4885POLB 2560/4885PPARG 3465/4885

“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.