SCHEMBL5993759

SCHEMBL5993759

CCCCCOCCO[PH](=O)C(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
THRB P10828 6/20 0.37
THRA P10827 2/20 0.37
ESR1 P03372 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
CES2 O00748 2/20 0.35
RARB P10826 2/20 0.34
PLA2G2A P14555 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
NAAA Q02083 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
SCHEMBL5994575 0.76 PPARA (0.46) MEN1KMT2AMAPT
SCHEMBL5995101 0.75 EGFR (0.31) KDM4E
Dodecane SCHEMBL8532955 0.75 HPGD (0.39) ITGB1ITGA4THRBTHRAESR1
SCHEMBL225077 0.71 GAA (0.41) MEN1KMT2AKDM4EPOLB
SCHEMBL31413924 0.69 ESR1 (0.60) ESR1MAPTCNR1CNR2
SCHEMBL26080227 0.66 HTT (0.55) THRBMEN1HTTKMT2AMAPT
SCHEMBL8490613 0.65 ESR1 (0.58) ESR1CNR1CNR2
Phosphonic Acid SCHEMBL10601117 0.64 HTT (0.56) THRBMEN1HTTKMT2AMAPT
SCHEMBL11953492 0.64 MEN1 (0.52) THRBMEN1HTTKMT2AMAPT
Propionic Acid SCHEMBL11694208 0.63 MEN1 (0.61) THRBESR1MEN1HTTKMT2A

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 1993/4885THRB 1630/4885
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 897/4885THRB 4292/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 ITGB1 340/4885ITGA4 407/4885THRB 2736/4885

“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.