SCHEMBL5997446

SCHEMBL5997446

CCOc1cccc(OCC)c1C(=O)P(=O)(CC(C)CC(C)(C)C)C(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.37
KCNK9 Q9NPC2 3/20 0.37
TAS1R3 Q7RTX0 3/20 0.34
TAS1R1 Q7RTX1 3/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
BACE1 P56817 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ABCB1 P08183 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 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
SCHEMBL5995716 0.93 MAPT (0.39) KCNK3KCNK9TAS1R3TAS1R1MAPT
SCHEMBL5994405 0.92 KCNK3 (0.34) KCNK3KCNK9TAS1R3TAS1R1MAPT
SCHEMBL5994271 0.89 LMNA (0.37) KCNK3KCNK9TAS1R3TAS1R1MAPT
SCHEMBL5996360 0.87 SMN1; SMN2 (0.42) KCNK3KCNK9MAPTKDM4EALDH1A1
SCHEMBL5994242 0.87 TAS1R3 (0.40) KCNK3KCNK9TAS1R3TAS1R1MAPT
SCHEMBL5996661 0.86 LMNA (0.34) KDM4EHPGDHSD17B10SMN1; SMN2KMT2A
SCHEMBL611535 0.85 L3MBTL1 (0.36) TAS1R3TAS1R1KDM4EHPGDSMN1; SMN2
SCHEMBL5997227 0.84 LMNA (0.34) MAPTKDM4EALDH1A1HPGDALOX15
SCHEMBL5997728 0.84 KCNK3 (0.39) KCNK3KCNK9MAPTKDM4EALDH1A1
SCHEMBL5995257 0.83 TAS1R3 (0.34) TAS1R3TAS1R1KDM4EALDH1A1SMN1; SMN2

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 KCNK3 595/4885KCNK9 583/4885TAS1R3 2305/4885
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 KCNK3 782/4885KCNK9 101/4885TAS1R3 3748/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 KCNK3 856/4885KCNK9 572/4885TAS1R3 737/4885

“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.