SCHEMBL5994546

SCHEMBL5994546

CCc1cccc(CC)c1C(=O)P(=O)(CC(C)CC(C)(C)C)C(=O)c1c(OC)cc(OC)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
ABCG2 Q9UNQ0 3/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
CYP3A4 P08684 2/20 0.33
USP2 O75604 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32

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
SCHEMBL5997256 0.91 PPARA (0.38) GAAHPGDALDH1A1HTTTSHR
SCHEMBL5996300 0.91 MAPT (0.41) GAAHPGDABCG2MAPTTP53
SCHEMBL4145897 0.90 CYP3A4 (0.39) ABCG2TP53CYP3A4USP2MAPK1
SCHEMBL5997728 0.88 KCNK3 (0.39) HPGDABCG2MAPTALDH1A1HTT
SCHEMBL5997127 0.88 ABCG2 (0.36) ABCG2MAPTALDH1A1KMT2ATP53
SCHEMBL5994912 0.87 TAS1R3 (0.38) ABCG2MAPTMEN1KMT2ATAS1R3
SCHEMBL5994441 0.87 GAA (0.39) GAAHPGDABCG2MAPTALDH1A1
SCHEMBL6467036 0.86 GABRA1 (0.37) ALDH1A1
SCHEMBL5994322 0.85 TAS1R3 (0.37) GAAMAPTALDH1A1HTTMEN1
SCHEMBL15237 0.84 CA12 (0.41) GAAMAPTALDH1A1KMT2ATSHR

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-7026017-B2 Photoinitiators for acrylic esters; reacting an acyl halide with a metal benzoyl phosphine; cable coatings, screen printing stencils, resist materials, colour filters, electrical encapsulation CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-04-11 US disclosed
US-6969733-B2 Photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-11-29 US disclosed
US-6737549-B2 PHOTOINITIATORS FOR ACRYLATE COATINGS CIBA SPECIALTY CHEMICALS CORPORATION 2004-05-18 US disclosed
US-20030139485-A1 Photoinitiators WOLF JEAN-PIERRE (CH) 2003-07-24 US disclosed
US-20030130370-A1 Photoinitiators for acrylic esters; reacting an acyl halide with a metal benzoyl phosphine; cable coatings, screen printing stencils, resist materials, colour filters, electrical encapsulation WOLF JEAN-PIERRE (CH) 2003-07-10 US disclosed
US-20020026049-A1 Photoinitiators for acrylate coatings CIBA SPECIALTY CHEMICALS CORP. 2002-02-28 US 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 (3 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-20030139485-A1 Photoinitiators DHCR24, NR1I3, CBR1 GAA 4801/4885HPGD 2368/4885ABCG2 3623/4885
US-20030130370-A1 Photoinitiators for acrylic esters; reacting an acyl halide with a metal benzoyl phosphine; cable coatings, screen printing stencils, resist materials, colour filters, electrical encapsulation SMARCC1, ARPC5L, DHCR24 GAA 4108/4885HPGD 3137/4885ABCG2 3245/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 GAA 4741/4885HPGD 3884/4885ABCG2 3003/4885

“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.