SCHEMBL3547233

SCHEMBL3547233

COc1cc(OCCCC=O)cc(OC)c1C=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.47
LMNA P02545 2/20 0.46
FDPS P14324 1/20 0.39
ALDH1A1 P00352 5/20 0.39
MAOB P27338 2/20 0.37
MAPT P10636 2/20 0.37
TUBB1 Q9H4B7 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PRKDC P78527 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC8 Q9BY41 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
SCHEMBL23932615 0.95 ERN1 (0.46) ERN1LMNAFDPSALDH1A1MAOB
SCHEMBL12223477 0.85 LMNA (0.50) ERN1LMNAFDPSALDH1A1MAOB
SCHEMBL1913197 0.82 LMNA (0.54) ERN1LMNAFDPSALDH1A1TUBB1
SCHEMBL28360604 0.82 LMNA (0.48) ERN1LMNAMAOB
SCHEMBL3547230 0.81 ERN1 (0.45) ERN1LMNAFDPSALDH1A1MAOB
SCHEMBL426335 0.80 ALDH1A1 (0.63) ERN1ALDH1A1MAOBMAPTTUBB1
SCHEMBL421566 0.80 LMNA (0.49) ERN1LMNATSHR
SCHEMBL23932614 0.80 ERN1 (0.44) ERN1LMNAFDPSALDH1A1MAOB
SCHEMBL1913198 0.78 PPARA (0.52) ERN1LMNAALDH1A1
SCHEMBL6317669 0.77 PTPN1 (0.48) ERN1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741479-B2 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
EP-1828169-A2 UREA INHIBITORS OF MAP KINASES Locus Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060167247-A1 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. 2006-07-27 US disclosed
WO-2006062982-A2 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2006-06-15 WO disclosed
US-7038054-B1 Diazabicyclononane scaffold for combinatorial synthesis PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2006-05-02 US disclosed
US-20050047976-A1 Method and apparatus for solid or solution phase reaction under ambient or inert conditions SENOMYX, INC. 2005-03-03 US disclosed
US-6642417-B2 Solid phase synthesis; libraries PHARMACOPEIA DRUG DISCOVERY, INC. 2003-11-04 US disclosed
WO-2002060585-A1 METHOD AND APPARATUS FOR SOLID OR SOLUTION PHASE REACTION UNDER AMBIENT OR INERT CONDITIONS SENOMYX, INC. (US) 2002-08-08 WO disclosed
US-6310244-B1 DEMONSTRATES THE ABILITY TO WITHSTAND MANY COMMON REACTION CONDITIONS AND YET IS CLEAVABLE UNDER RELATIVELY MILD CONDITIONS. PHARMACOPEIA, INC. 2001-10-30 US disclosed
US-20010025084-A1 Photocleavable and acid cleavable linkers for combinatorial chemistry PHARMACOPEIA, LLC 2001-09-27 US disclosed
US-6093799-A Universal linker for combinatorial synthesis PHARMACOPEIA, INC. (US) 2000-07-25 US disclosed
WO-2000005197-A1 PHOTOCLEAVABLE AND ACID CLEAVABLE LINKERS FOR COMBINATORIAL CHEMISTRY PHARMACOPEIA, INC. (US) 2000-02-03 WO disclosed
US-6008321-A Universal linker for combinatorial synthesis PHARMACOPEIA, INC. (US) 1999-12-28 US disclosed
WO-1999047498-A1 UNIVERSAL LINKER FOR COMBINATORIAL SYNTHESIS PHARMACOPEIA, INC. (US) 1999-09-23 WO disclosed
WO-1999039207-A1 ACID CLEAVABLE PHENOXYALKYL LINKER FOR COMBINATORIAL SYNTHESIS PHARMACOPEIA, INC. (US) 1999-08-05 WO 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-20060167247-A1 Urea inhibitors of MAP kinases MAPK1, MAP3K1, MAP3K20 ERN1 121/4885LMNA 2936/4885FDPS 1978/4885
US-20010025084-A1 Photocleavable and acid cleavable linkers for combinatorial chemistry CCNE1, CCNB1, CDK1 ERN1 1096/4885LMNA 1398/4885FDPS 529/4885

“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.