SCHEMBL3680771

SCHEMBL3680771

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.40
PPARA Q07869 3/20 0.40
PPARG P37231 3/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ACACB O00763 2/20 0.38
RECQL P46063 1/20 0.37
FFAR1 O14842 2/20 0.37
LTA4H P09960 2/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 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
SCHEMBL3677849 0.87 LMNA (0.40) PPARDPPARAPPARGLMNAL3MBTL1
SCHEMBL3680767 0.85 LTA4H (0.40) PPARDPPARAPPARGLMNAL3MBTL1
SCHEMBL196997 0.79 THRB (0.57) PPARDPPARAPPARGLMNAL3MBTL1
SCHEMBL6562700 0.79 POLB (0.50) PPARDPPARAPPARGLMNAL3MBTL1
SCHEMBL127434 0.79 CYP3A4 (0.47) PPARDPPARAPPARGLMNAL3MBTL1
SCHEMBL3680765 0.78 MAPT (0.43) PPARALMNAL3MBTL1ALDH1A1RECQL
SCHEMBL7650076 0.77 LTA4H (0.46) PPARDPPARAPPARGLMNAALDH1A1
SCHEMBL12256729 0.77 MAPT (0.44) PPARALMNAL3MBTL1ALDH1A1RECQL
SCHEMBL19881702 0.76 L3MBTL1 (0.41) LMNAL3MBTL1
SCHEMBL5560855 0.76 PPARA (0.41) PPARALMNAALDH1A1ACACB

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 PPARD 4405/4885PPARA 3469/4885PPARG 3604/4885
US-20140024840-A1 PREPARATION METHOD OF COPOLYMERIZABLE PHOTOINITIATORS HBB, HBZ, HBG1 PPARD 4364/4885PPARA 3306/4885PPARG 3433/4885

“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.