SCHEMBL5997029

SCHEMBL5997029

CCOc1cccc(OCC)c1C(=O)CC[PH](=O)C(=O)c1c(OC)cc(OC)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
KCNH2 Q12809 2/20 0.41
CYP2D6 P10635 2/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
OPRK1 P41145 1/20 0.41
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KCNK3 O14649 1/20 0.38

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
SCHEMBL5994818 0.92 SMN1; SMN2 (0.43) KCNH2ALDH1A1SMN1; SMN2TSHRKCNK3
SCHEMBL5994339 0.92 CYP2D6 (0.45) LMNAKCNH2CYP2D6HTR1AADRA2A
SCHEMBL5996914 0.86 CYP2D6 (0.40) LMNAKCNH2CYP2D6HTR1AADRA2A
SCHEMBL5996385 0.84 CYP2D6 (0.41) LMNAKCNH2CYP2D6HTR1AADRA2A
SCHEMBL5997931 0.84 CYP2D6 (0.43) LMNAKCNH2CYP2D6HTR1AADRA2A
SCHEMBL5997260 0.83 ABCG2 (0.41) LMNAKCNH2CYP2D6HTR1AADRA2A
SCHEMBL5996780 0.82 CA12 (0.41) TSHRCYP3A4CYP2C19
SCHEMBL5997380 0.82 GAA (0.40) KDM4EKMT2ACYP2C19
SCHEMBL5995748 0.81 MAPT (0.37) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL6448654 0.81 MRGPRX4 (0.40) LMNAKCNH2CYP2D6HTR1AADRA2A

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 LMNA 763/4885KCNH2 124/4885CYP2D6 711/4885
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 LMNA 975/4885KCNH2 24/4885CYP2D6 3653/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 LMNA 848/4885KCNH2 172/4885CYP2D6 1207/4885

“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.