SCHEMBL5997143

SCHEMBL5997143

COc1c(C)cc(C)c(OC)c1C(=O)CCP

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KCNB1 Q14721 1/20 0.40
FASN P49327 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
IMPDH2 P12268 1/20 0.34
CYP2C19 P33261 1/20 0.33
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTNNB1 P35222 1/20 0.32
WNT3A P56704 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
SCHEMBL5995317 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2ACYP2C19
SCHEMBL5995429 0.80 ALDH1A1 (0.36) ALDH1A1KCNB1FASNKDM4EMEN1
SCHEMBL27489432 0.79 ALDH1A1 (0.36) ALDH1A1KCNB1FASNKDM4EMEN1
SCHEMBL5996573 0.77 FASN (0.37) FASNMEN1KMT2ASLC5A1SLC5A2
SCHEMBL5997851 0.76 TSHR (0.45) ALDH1A1HTTL3MBTL1HPGD
SCHEMBL5997300 0.75 FASN (0.43) ALDH1A1FASNCTNNB1WNT3ACYP3A4
SCHEMBL5994293 0.74 POLB (0.45) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL5993510 0.74 FASN (0.35) FASNKDM4ESLC5A1SLC5A2
SCHEMBL5996268 0.74 TDP1 (0.41) KCNB1FASNKDM4EHTTTDP1
SCHEMBL5997078 0.73 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2ATAS1R3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109250-B2 Multimer forms of acylphosphines and their derivatives CIBA SPECIALTY CHEMICALS CORP. (US) 2006-09-19 US disclosed
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-20050004247-A1 Multimer forms of acylphosphines and their derivatives CIBA SPECIALTY CHEMICALS CORP. 2005-01-06 US disclosed
EP-1446410-A1 MULTIMER FORMS OF ACYLPHOSPHINES AND THEIR DERIVATIVES Ciba SC Holding AG (CH) 2004-08-18 EP 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
WO-2003044030-A1 MULTIMER FORMS OF ACYLPHOSPHINES AND THEIR DERIVATIVES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-05-30 WO 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 ALDH1A1 974/4885KCNB1 670/4885FASN 1351/4885
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 ALDH1A1 1088/4885KCNB1 753/4885FASN 2990/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 ALDH1A1 835/4885KCNB1 1388/4885FASN 2546/4885

“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.