SCHEMBL5997952

SCHEMBL5997952

COc1cccc(OC)c1C(=O)P(=O)(CC(C)CC(C)(C)C)C(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.36
ITGA4 P13612 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
FABP4 P15090 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
CHRM2 P08172 1/20 0.33
RORC P51449 1/20 0.33
CXCL12 P48061 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ITGB7 P26010 1/20 0.33

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
SCHEMBL15237 0.93 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL5994701 0.92 GRM5 (0.34) ITGB1ITGA4CA12CA1CA2
Phosphine SCHEMBL28321500 0.92 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL5994912 0.91 TAS1R3 (0.38) TAS1R3TAS1R1
SCHEMBL610990 0.90 ALDH1A1 (0.36) ITGB1ITGA4TAS1R3TAS1R1ALDH1A1
SCHEMBL5997177 0.87 TAS1R3 (0.40) CA12CA1CA2CA7CA9
SCHEMBL5996300 0.86 MAPT (0.41) CA12CA1CA2CA7CA9
SCHEMBL5993577 0.86 CA12 (0.36) CA12CA1CA2CA7CA9
SCHEMBL5997256 0.86 PPARA (0.38) CA12CA1CA2CA7CA9
SCHEMBL5996360 0.86 SMN1; SMN2 (0.42) CA12CA1CA2CA7CA9

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 ITGB1 1746/4885ITGA4 1993/4885CA12 2616/4885
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 ITGB1 1859/4885ITGA4 897/4885CA12 1833/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 ITGB1 340/4885ITGA4 407/4885CA12 1863/4885

“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.