SCHEMBL5994575

SCHEMBL5994575

CCCCCOCCO[PH](=O)C(=O)c1c(OC)cccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.46
NPSR1 Q6W5P4 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
PTGS2 P35354 2/20 0.39
ALOX5 P09917 1/20 0.39
PLK1 P53350 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADRA2A P08913 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37

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
Hexane SCHEMBL8530046 0.79 PPARA (0.56) PPARACA12CA1CA2CA7
SCHEMBL13891884 0.79 CA12 (0.50) PPARACA12CA1CA2CA7
SCHEMBL5993759 0.76 ITGB1 (0.38) MAPTMEN1KMT2A
SCHEMBL23152411 0.74 PPARA (0.55) PPARACA12CA1CA2CA7
SCHEMBL27874200 0.74 PPARA (0.50) PPARACA12CA1CA2CA7
Methylamine SCHEMBL27602169 0.73 PPARA (0.50) PPARACA12CA1CA2CA7
SCHEMBL17502688 0.72 TSHR (0.58) PPARACA12CA1CA2CA7
SCHEMBL11075449 0.71 TSHR (0.59) PPARAMAPTLMNACYP3A4
SCHEMBL17502731 0.71 TSHR (0.59) PPARAMAPTLMNACYP3A4
SCHEMBL23748636 0.71 CA12 (0.66) PPARACA12CA1CA2CA7

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 PPARA 1123/4885NPSR1 715/4885CA12 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 PPARA 2606/4885NPSR1 2280/4885CA12 1833/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 PPARA 2465/4885NPSR1 505/4885CA12 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.