SCHEMBL3689197

SCHEMBL3689197

C=CC(=O)OCC(O)(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.45
CES1 P23141 2/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 3/20 0.41
HIF1A Q16665 3/20 0.41
TP53 P04637 2/20 0.41
CYP3A4 P08684 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AKT1 P31749 1/20 0.41
TSHR P16473 4/20 0.38
SRC P12931 1/20 0.38
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6450310 0.80 CES1 (0.48) THRBCES1ALDH1A1MAPK1HIF1A
SCHEMBL1261037 0.80 THRB (0.46) THRBCES1ALDH1A1MAPK1HIF1A
SCHEMBL19846629 0.79 THRB (0.51) THRBALDH1A1MAPK1HIF1ATP53
SCHEMBL9718678 0.79 ALDH1A1 (0.41) CES1ALDH1A1MAPK1HIF1ACYP3A4
SCHEMBL19469257 0.78 THRB (0.49) THRBCES1ALDH1A1MAPK1HIF1A
SCHEMBL18051656 0.78 THRB (0.47) THRBALDH1A1MAPK1HIF1ATP53
SCHEMBL9848771 0.77 THRB (0.54) THRBCES1ALDH1A1MAPK1HIF1A
SCHEMBL1724042 0.76 THRB (0.49) THRBALDH1A1MAPK1HIF1ATP53
SCHEMBL28771131 0.76 THRB (0.45) THRBALDH1A1MAPK1HIF1ATP53
SCHEMBL197860 0.76 ALDH1A1 (0.56) CES1ALDH1A1MAPK1CYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791289-B2 Preparation method of copolymerizable photoinitiators AGFA GRAPHICS NV (BE) 2014-07-29 US disclosed
US-8791289-B2 Preparation method of copolymerizable photoinitiators AGFA GRAPHICS NV (BE) 2014-07-29 US disclosed
US-8791289-B2 Preparation method of copolymerizable photoinitiators AGFA GRAPHICS NV (BE) 2014-07-29 US disclosed
US-8664431-B2 Preparation method of copolymerizable photoinitiators AGFA GRAPHICS NV (BE) 2014-03-04 US disclosed
US-8664431-B2 Preparation method of copolymerizable photoinitiators AGFA GRAPHICS NV (BE) 2014-03-04 US disclosed
US-8664431-B2 Preparation method of copolymerizable photoinitiators AGFA GRAPHICS NV (BE) 2014-03-04 US disclosed
US-20140024840-A1 PREPARATION METHOD OF COPOLYMERIZABLE PHOTOINITIATORS AGFA GRAPHICS NV (BE) 2014-01-23 US disclosed
US-20140024840-A1 PREPARATION METHOD OF COPOLYMERIZABLE PHOTOINITIATORS AGFA GRAPHICS NV (BE) 2014-01-23 US disclosed
US-20140024840-A1 PREPARATION METHOD OF COPOLYMERIZABLE PHOTOINITIATORS AGFA GRAPHICS NV (BE) 2014-01-23 US disclosed
US-20100305336-A1 PREPARATION METHOD OF COPOLYMERIZABLE PHOTOINITIATORS AGFA GRAPHICS NV (BE) 2010-12-02 US disclosed
US-20100305336-A1 PREPARATION METHOD OF COPOLYMERIZABLE PHOTOINITIATORS AGFA GRAPHICS NV (BE) 2010-12-02 US disclosed
US-20100305336-A1 PREPARATION METHOD OF COPOLYMERIZABLE PHOTOINITIATORS AGFA GRAPHICS NV (BE) 2010-12-02 US disclosed
WO-2009068590-A1 PREPARATION METHOD OF COPOLYMERIZABLE PHOTOINITIATORS AGFA GRAPHICS NV (BE) 2009-06-04 WO disclosed
EP-2065362-A1 Preparation method of copolymerizable photoinitiators Agfa Graphics N.V. (BE) 2009-06-03 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-20100305336-A1 PREPARATION METHOD OF COPOLYMERIZABLE PHOTOINITIATORS HBB, HBZ, HBG1 THRB 481/4885CES1 744/4885ALDH1A1 390/4885
US-20140024840-A1 PREPARATION METHOD OF COPOLYMERIZABLE PHOTOINITIATORS HBB, HBZ, HBG1 THRB 508/4885CES1 759/4885ALDH1A1 371/4885

“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.