SCHEMBL3680767

SCHEMBL3680767

CC(O)(C=O)Cc1ccc(OCCOC(=O)CCCl)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.40
PPARD Q03181 4/20 0.38
PPARA Q07869 4/20 0.38
PPARG P37231 2/20 0.38
EBP Q15125 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.37
ACACB O00763 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL3680771 0.85 PPARD (0.40) LTA4HPPARDPPARAPPARGLMNA
SCHEMBL9174795 0.81 THRB (0.56) PPARDPPARAPPARGEBPSIGMAR1
SCHEMBL9819180 0.80 POLB (0.48) PPARDPPARAPPARGLMNAL3MBTL1
SCHEMBL19644362 0.78 SMN1; SMN2 (0.50) EBPSIGMAR1LMNAALDH1A1ACACB
SCHEMBL788296 0.78 SMN1; SMN2 (0.50) EBPSIGMAR1LMNAALDH1A1ACACB
SCHEMBL10455828 0.78 LMNA (0.39) PPARAEBPSIGMAR1LMNAALDH1A1
SCHEMBL9614864 0.77 SMN1; SMN2 (0.48) LTA4HEBPSIGMAR1LMNAALDH1A1
SCHEMBL10454958 0.77 SMN1; SMN2 (0.46) PPARDPPARAPPARGLMNAL3MBTL1
SCHEMBL3680765 0.76 MAPT (0.43) PPARALMNAL3MBTL1ALDH1A1RAB9A
SCHEMBL5560846 0.75 PPARA (0.38) PPARAEBPSIGMAR1LMNAALDH1A1

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 6 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-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-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 LTA4H 992/4885PPARD 4405/4885PPARA 3469/4885
US-20140024840-A1 PREPARATION METHOD OF COPOLYMERIZABLE PHOTOINITIATORS HBB, HBZ, HBG1 LTA4H 955/4885PPARD 4364/4885PPARA 3306/4885

“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.