SCHEMBL3453165

SCHEMBL3453165

COC(=O)Cc1ccc(C=O)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
GAA P10253 1/20 0.53
GFER P55789 1/20 0.53
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
HSP90AB1 P08238 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 2/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA2 P00918 2/20 0.42
CSNK1D P48730 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL18232223 0.85 ALDH1A1 (0.53) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL3451320 0.84 ALDH1A1 (0.49) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL13108804 0.84 ALDH1A1 (0.49) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL2847599 0.83 GAA (0.58) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL298044 0.82 TSHR (0.62) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL30632630 0.82 TSHR (0.62) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL24410146 0.81 ALDH1A1 (0.49) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL31260444 0.81 ALDH1A1 (0.51) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL3451226 0.80 CA2 (0.61) ALDH1A1GAATDP1TSHRHPGD
SCHEMBL1303666 0.79 ALDH1A1 (0.62) ALDH1A1GAAGFERCYP4F2CYP4A11

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-7820705-B2 Compounds and compositions as PPAR modulators IRM LLC (BM) 2010-10-26 US disclosed
US-7820705-B2 Compounds and compositions as PPAR modulators IRM LLC (BM) 2010-10-26 US disclosed
US-7820705-B2 Compounds and compositions as PPAR modulators IRM LLC (BM) 2010-10-26 US disclosed
EP-1745027-A4 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-06-03 EP disclosed
US-20080114044-A1 Compounds And Compositions As Ppar Modulators EPPLE ROBERT 2008-05-15 US disclosed
US-20080114044-A1 Compounds And Compositions As Ppar Modulators EPPLE ROBERT 2008-05-15 US disclosed
US-20080114044-A1 Compounds And Compositions As Ppar Modulators EPPLE ROBERT 2008-05-15 US disclosed
US-20070203155-A1 Compounds And Compositions As Ppar Modulators IRM LLC (BM) 2007-08-30 US disclosed
US-20070203155-A1 Compounds And Compositions As Ppar Modulators IRM LLC (BM) 2007-08-30 US disclosed
US-20070203155-A1 Compounds And Compositions As Ppar Modulators IRM LLC (BM) 2007-08-30 US disclosed
EP-1748993-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-02-07 EP disclosed
EP-1745027-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM, LLC (BM) 2007-01-24 EP disclosed
WO-2005116000-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-08 WO disclosed
WO-2005113519-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-01 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-20070203155-A1 Compounds And Compositions As Ppar Modulators PPARG, PPARA, PPARD ALDH1A1 1651/4885GAA 1126/4885GFER 3152/4885
US-20080114044-A1 Compounds And Compositions As Ppar Modulators PPARG, PPARA, PPARD ALDH1A1 1651/4885GAA 1126/4885GFER 3152/4885

“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.