SCHEMBL5211513

SCHEMBL5211513

C=C(C)C(=O)OCCCOc1ccc(Cc2ccc(OCCCOC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.65
APEX1 P27695 1/20 0.65
HTT P42858 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
TSHR P16473 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
PDE4A P27815 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
LTA4H P09960 10/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 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
SCHEMBL331665 0.92 POLB (0.58) POLBAPEX1HTTTDP1L3MBTL1
SCHEMBL24103806 0.92 POLB (0.64) POLBAPEX1HTTTDP1TSHR
SCHEMBL28725903 0.89 POLB (0.63) POLBAPEX1HTTTDP1TSHR
SCHEMBL17036971 0.89 POLB (0.63) POLBAPEX1HTTTDP1TSHR
SCHEMBL28035136 0.88 POLB (0.55) POLBAPEX1HTTTDP1L3MBTL1
SCHEMBL14173281 0.87 HTT (0.68) POLBAPEX1HTTTDP1TSHR
SCHEMBL14173280 0.87 HTT (0.68) POLBAPEX1HTTTDP1TSHR
SCHEMBL7003272 0.87 POLB (0.60) POLBAPEX1HTTTDP1TSHR
SCHEMBL11372567 0.86 POLB (0.67) POLBAPEX1HTTTDP1TSHR
SCHEMBL690787 0.86 HTT (0.67) POLBAPEX1HTTTDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1388540-B1 ACRYLIC ESTERS AND USE THEREOF MITSUI CHEMICALS INC (JP) 2007-09-05 EP disclosed
EP-1302471-B1 SULFUR COMPOUND AND USE THEREOF MITSUI CHEMICALS INC (JP) 2006-12-27 EP disclosed
US-6835844-B2 Acrylic esters and use thereof MITSUI CHEMICALS, INC. (JP) 2004-12-28 US disclosed
US-20040102592-A1 Acrylic esters and use thereof MITSUI CHEMICALS, INC. (JP) 2004-05-27 US 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

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-20040102592-A1 Acrylic esters and use thereof RPS4Y1, EPB41, RPS4X POLB 4436/4885APEX1 1995/4885HTT 4063/4885

“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.