SCHEMBL5996504

SCHEMBL5996504

CCC(C)P(=O)(C(=O)c1c(C)cccc1C)C(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.42
UTS2R Q9UKP6 1/20 0.39
ITGB1 P05556 8/20 0.39
ITGA4 P13612 8/20 0.39
ITGB7 P26010 2/20 0.39
ITGA2 P17301 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TRPM4 Q8TD43 1/20 0.36
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
ALDH2 P05091 1/20 0.35
CCR8 P51685 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
SCHEMBL6466911 0.91 L3MBTL1 (0.38) TYK2TAS1R3TAS1R1TAS1R2ITGB2
SCHEMBL5994916 0.91 KMT2A (0.40) TYK2UTS2RTAS1R3TAS1R1TAS1R2
SCHEMBL5997379 0.91 UTS2R (0.35) TYK2UTS2RITGB1ITGA4ITGB7
SCHEMBL5998075 0.87 GAA (0.38) TYK2TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL5995811 0.84 KMT2A (0.39) TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL5996722 0.84 ITGB1 (0.36) ITGB1ITGA4TAS1R3TAS1R1TAS1R2
SCHEMBL5996288 0.82 CA12 (0.41) ITGB1ITGA4ALDH1A1
SCHEMBL5996509 0.81 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2ALDH1A1MAPT
SCHEMBL5996363 0.81 SMN1; SMN2 (0.35) GAA
SCHEMBL5995649 0.80 L3MBTL1 (0.39) TAS1R3TAS1R1TAS1R2ALDH1A1

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 TYK2 2818/4885UTS2R 2725/4885ITGB1 1746/4885
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 TYK2 3482/4885UTS2R 2574/4885ITGB1 1859/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 TYK2 2581/4885UTS2R 2430/4885ITGB1 340/4885

“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.