Sugi Predict

Sugi Predict / Compounds / SCHEMBL5996544

SCHEMBL5996544

SCHEMBL5996544

CCCCCC(CC(C)CC(C)(C)C)[P](=O)C(=O)c1c(OC)cccc1OC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 1/20 0.40
▸ TSHR P16473 1/20 0.34
▸ CNR2 P34972 6/20 0.33
▸ CNR1 P21554 4/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ PLK1 P53350 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 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
SCHEMBL5996232 0.99 PPARA (0.41) PPARATSHRCNR2CNR1PLK1
SCHEMBL5997338 0.99 PPARA (0.41) PPARATSHRCNR2CNR1PLK1
SCHEMBL5997756 0.97 PPARA (0.38) PPARATSHRCNR2CNR1ALOX5
SCHEMBL5997668 0.92 TAS1R3 (0.36) PPARATSHRCA12CA1CA2
SCHEMBL5994685 0.88 CA12 (0.37) PPARATSHRCA12CA1CA2
SCHEMBL5995690 0.82 CA12 (0.40) PPARATSHRCA12CA1CA2
SCHEMBL5994345 0.79 ITGB1 (0.30) —
SCHEMBL5997783 0.78 MMP1 (0.31) —
SCHEMBL5997219 0.78 MMP1 (0.31) —
SCHEMBL5994269 0.78 MMP1 (0.31) —

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 4 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-6737549-B2 PHOTOINITIATORS FOR ACRYLATE COATINGS CIBA SPECIALTY CHEMICALS CORPORATION 2004-05-18 — — 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 (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-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 PPARA 2606/4885TSHR 4029/4885CNR2 829/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 PPARA 2465/4885TSHR 1670/4885CNR2 487/4885

“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.